6-(4-methoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 219147
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c1(c(=O)oc2c(c1)cc1c(occ1C)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc2cc3c(C)coc3cc2oc1=O
• InChI: InChI=1S/C19H14O4/c1-11-10-22-18-9-17-13(7-15(11)18)8-16(19(20)23-17)12-3-5-14(21-2)6-4-12/h3-10H,1-2H3
• InChIKey: AJDSPAFASYUUNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-(4-methoxyphenyl)-3-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164275057
• PubChem CID: 4913752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.966321
• LogD (pH = 7.4): 3.966321
• Log P: 3.966321
• Molar Refractivity: 86.3462 cm^3
• Polarizability: 34.015697 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