5-(4-methoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187988
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c1(c2c(oc(=O)c1)cc1c(c2)c(co1)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(C)coc1c2
• InChI: InChI=1S/C19H14O4/c1-11-10-22-17-9-18-16(7-14(11)17)15(8-19(20)23-18)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3
• InChIKey: WJCSSTWNVXULIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-3-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243898
• PubChem CID: 707778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7314317
• LogD (pH = 7.4): 3.7314317
• Log P: 3.7314317
• Molar Refractivity: 95.4468 cm^3
• Polarizability: 33.941242 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds