4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-((3-methyl-2-butenyl)oxy)-2-phenyl-, (S)-
Basic information
- CAS
94393-10-9- Standard SMILES
CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2=O- InChIKey
WZSJHPLGMXDPQW-SFHVURJKSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13615911
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-((3-methyl-2-butenyl)oxy)-2-phenyl-, (S)-
- IUPAC
- (2S)-5-hydroxy-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one
Names & synonyms
94393-10-94H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-((3-methyl-2-butenyl)oxy)-2-phenyl-, (S)-DTXSID90241460RefChem:100673DTXCID90163951(2S)-5-hydroxy-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one(2S)-5-hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one(S)-5-Hydroxy-7-((3-methylbut-2-en-1-yl)oxy)-2-phenylchroman-4-one(2S)-5-Hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
94393-10-9- PubChem CID
- 185341
- DTXSID
DTXSID90241460- Nikkaji
- J742.823E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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