6-Chloro-2,3-dihydro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one
Basic information
- CAS
1031206-38-8- Standard SMILES
COc1ccc(CC2COc3ccc(Cl)cc3C2=O)cc1O- InChIKey
GFDCPSQELVPCHS-UHFFFAOYSA-N- Molecular formula
- C17H15ClO4
- Average molar mass
- 318.7 g/mol
- Monoisotopic mass
- 318.0658866
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dihydro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one
- IUPAC
- 6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
Names & synonyms
SCHEMBL4736424DTXSID9011340276-Chloro-2,3-dihydro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one6-Chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydro-4H-1-benzopyran-4-one1031206-38-8
Database identifiers
- CAS
1031206-38-8- PubChem CID
- 69167667
- DTXSID
DTXSID901134027
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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