4-methyl-2-oxo-2H-chromen-7-yl 2-phenoxyacetate

• ChemBase ID: 189544
• Molecular Formular: C18H14O5
• Molecular Mass: 310.30076
• Monoisotopic Mass: 310.08412355
• SMILES: c12oc(=O)cc(c1ccc(c2)OC(=O)COc1ccccc1)C
• Canonical SMILES: O=C(Oc1ccc2c(c1)oc(=O)cc2C)COc1ccccc1
• InChI: InChI=1S/C18H14O5/c1-12-9-17(19)23-16-10-14(7-8-15(12)16)22-18(20)11-21-13-5-3-2-4-6-13/h2-10H,11H2,1H3
• InChIKey: FBLPHDDHVQCVSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-oxo-2H-chromen-7-yl 2-phenoxyacetate
• IUPAC Traditional name: 4-methyl-2-oxochromen-7-yl 2-phenoxyacetate

Database IDs

• PubChem SID: 164245454
• PubChem CID: 2787097

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2069187
• LogD (pH = 7.4): 3.2069187
• Log P: 3.2069187
• Molar Refractivity: 82.9251 cm^3
• Polarizability: 32.24525 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds