Basic information
- CAS
66883-86-1- Standard SMILES
O=C1CC(c2ccccc2)Oc2c(Cl)cccc21- InChIKey
XQROCKZRCAVBQI-UHFFFAOYSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 8-chloro-2,3-dihydro-2-phenyl-
- IUPAC
- 8-chloro-2-phenyl-2,3-dihydrochromen-4-one
Names & synonyms
66883-86-18-chloro-2-phenylchroman-4-one4H-1-Benzopyran-4-one, 8-chloro-2,3-dihydro-2-phenyl-8-chloro-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneOprea1_870184CHEMBL482954DTXSID103949078-chloro-2-phenyl-chroman-4-oneST503092288-Chloro-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
66883-86-1- PubChem CID
- 3674065
- DTXSID
DTXSID10394907- ChEMBL
CHEMBL482954
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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