Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc3c(c2)OCC(Cc2ccc(-c4ccccc4)cc2)C3=O)CCCC1- InChIKey
JVQQVQGHQKZDCS-UHFFFAOYSA-N- Molecular formula
- C30H30O4
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.21440943
Names & identifiers
- Preferred name
- Ethyl 1-(3-(4-phenyl-phenylmethyl)-4-chromanon-7-yl)cyclopentane-carboxylate
- IUPAC
- ethyl 1-[4-oxo-3-[(4-phenylphenyl)methyl]-2,3-dihydrochromen-7-yl]cyclopentane-1-carboxylate
Names & synonyms
JVQQVQGHQKZDCS-UHFFFAOYSA-NEthyl 1-(3-(4-phenyl-phenylmethyl)-4-chromanon-7-yl)cyclopentane-carboxylateEthyl 1-(3-(4-phenyl-phenylmethyl)-4-chromanon-7-yl)cyclopentanecarboxylate
Database identifiers
- PubChem CID
- 10253447
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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