2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one

Basic Information

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CAS Number

19879-30-2

Molecular Formula

C21H22O4

Molecular Weight

338.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

154 ºC

Solubility

Methanol; Ethyl Acetate

SMILES

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CC(=CCC1=CC2=C(C=C1OC)OC(CC2=O)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3

InChIKey

VOCGSQHKPZSIKB-UHFFFAOYSA-N

LogP

4.616000000000005

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

488

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

AC-31454
s3878
MFCD06858307
5-18-04-00132 (Beilstein Handbook Reference)
SCHEMBL4220751
(2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
EX-A3649
BRN 3629340
Bavachinin
Bavachinin A
NS00097154
CHEMBL1551302
CHEBI:184255
7-O-Methylbavachin
4'-Hydroxy-7-methoxy-6-prenylflavanone
(S)-2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)chroman-4-one
4'-Hydroxy-7-methoxy-6-(3-methyl-2-butenyl)flavanone
AKOS032962310
BS-15784
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-
19879-30-2
UNII-VL3EV483SZ
CCG-208380
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-, (2S)-
BDBM50084040
NCGC00163517-01
HY-N0234
SR-05000002282-2
Z2037316850
SR-05000002282
VL3EV483SZ

MDL Number

MFCD06858307

FAQ

What is 2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2)?

2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2) is a complex organic compound with a chromone ring structure. It contains hydroxyl, methoxy, and isopropenyl functional groups, making it a potential candidate for pharmaceutical and biochemical research. The compound is known for its structural diversity and is often studied for its biological activity.

What are the main uses of 2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and antioxidant properties. It may also find applications in the development of agrochemicals and as a building block in organic synthesis. Its unique structure makes it valuable for studying enzyme inhibition and drug design.

Is 2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2) safe?

The safety of 2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2) depends on its application and exposure conditions. It is generally considered safe in controlled laboratory settings, but proper handling is required to avoid skin contact and inhalation. Safety data sheets (SDS) should be consulted for detailed guidelines.

How should 2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one (CAS: 19879-30-2) be stored?

To ensure stability and safety, this compound should be stored in a cool, dry, and dark place, away from air and moisture. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity levels. Avoid exposure to light and store in a well-ventilated area to prevent degradation.