methyl 2-({8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

• ChemBase ID: 190234
• Molecular Formular: C17H14O6
• Molecular Mass: 314.28946
• Monoisotopic Mass: 314.07903817
• SMILES: c1(=O)c2c(c3c(o1)cc(OCC(=O)OC)cc3)ccc(c2)OC
• Canonical SMILES: COC(=O)COc1ccc2c(c1)oc(=O)c1c2ccc(c1)OC
• InChI: InChI=1S/C17H14O6/c1-20-10-3-5-12-13-6-4-11(22-9-16(18)21-2)8-15(13)23-17(19)14(12)7-10/h3-8H,9H2,1-2H3
• InChIKey: KLUDQWOJNQPPLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-({8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate
• IUPAC Traditional name: methyl 2-({8-methoxy-6-oxobenzo[c]chromen-3-yl}oxy)acetate

Database IDs

• PubChem SID: 164246144
• PubChem CID: 713553

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2338622
• LogD (pH = 7.4): 2.2338622
• Log P: 2.2338622
• Molar Refractivity: 80.7192 cm^3
• Polarizability: 32.596207 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds