Basic information
- Standard SMILES
Cc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)oc2cc(O)ccc12- InChIKey
VVGLWVPVTNZKPO-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2O3
- Average molar mass
- 335.2 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-dichloro-benzyl)-7-hydroxy-4-methyl-2H-chromen-2-one
- IUPAC
- 3-[(3,4-dichlorophenyl)methyl]-7-hydroxy-4-methylchromen-2-one
Names & synonyms
Cyto8D5Oprea1_308793SCHEMBL5648321CHEMBL3716221VVGLWVPVTNZKPO-UHFFFAOYSA-NCCG-2507693-(3,4-dichloro-benzyl)-7-hydroxy-4-methyl-2H-chromen-2-one
Database identifiers
- PubChem CID
- 5908145
- ChEMBL
CHEMBL3716221
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
9 records
Compound notes
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