2-oxo-2H-chromen-4-yl 4-ethoxybenzoate

• ChemBase ID: 193106
• Molecular Formular: C18H14O5
• Molecular Mass: 310.30076
• Monoisotopic Mass: 310.08412355
• SMILES: c1(cc(=O)oc2c1cccc2)OC(=O)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)Oc1cc(=O)oc2c1cccc2
• InChI: InChI=1S/C18H14O5/c1-2-21-13-9-7-12(8-10-13)18(20)23-16-11-17(19)22-15-6-4-3-5-14(15)16/h3-11H,2H2,1H3
• InChIKey: UYBVFCCVLFONGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2H-chromen-4-yl 4-ethoxybenzoate
• IUPAC Traditional name: 2-oxochromen-4-yl 4-ethoxybenzoate

Database IDs

• PubChem SID: 164249016
• PubChem CID: 753791

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1939502
• LogD (pH = 7.4): 3.1939502
• Log P: 3.1939502
• Molar Refractivity: 84.4747 cm^3
• Polarizability: 32.22941 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds