Basic information
- Standard SMILES
O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccccc3)CCC2)c1- InChIKey
BHIIXYUVEXKWSO-UHFFFAOYSA-N- Molecular formula
- C25H21ClO3
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.1179222
Names & identifiers
- Preferred name
- 3-(2-(2-(Benzyloxy)-5-chlorophenyl)cyclopent-1-enyl)benzoic acid
- IUPAC
- 3-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid
Names & synonyms
CHEMBL207577SCHEMBL5621079BHIIXYUVEXKWSO-UHFFFAOYSA-NBDBM501831883-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-enyl)benzoic acid3-{2-[5-chloro-2-(benzyloxy)-phenyl]-cyclopent-1-enyl}-benzoic Acid
Database identifiers
- PubChem CID
- 9844175
- ChEMBL
CHEMBL207577
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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