Ethyl 4-[5-[3-oxo-3-[4-(phenylmethoxy)phenyl]-1-propen-1-yl]-2-furanyl]benzoate

HCID 3976306

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Basic information

CAS: 465514-60-7
Standard SMILES: CCOC(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc(OCc4ccccc4)cc3)o2)cc1
InChIKey: LBMXQYJCBMGOLW-UHFFFAOYSA-N
Molecular formula: C29H24O5
Average molar mass: 452.5 g/mol
Monoisotopic mass: 452.16237386

Names & identifiers

Preferred name: Ethyl 4-[5-[3-oxo-3-[4-(phenylmethoxy)phenyl]-1-propen-1-yl]-2-furanyl]benzoate
IUPAC: ethyl 4-[5-[3-oxo-3-(4-phenylmethoxyphenyl)prop-1-enyl]furan-2-yl]benzoate

Names & synonyms

DTXSID701136041AKOS030655549Ethyl 4-[5-[3-oxo-3-[4-(phenylmethoxy)phenyl]-1-propen-1-yl]-2-furanyl]benzoate465514-60-7ethyl 4-(5-{3-[4-(benzyloxy)phenyl]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate

Database identifiers

CAS: 465514-60-7
PubChem CID: 3976306
DTXSID: DTXSID701136041

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 666

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