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

• ChemBase ID: 195037
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)C)c2)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(C)cc(=O)oc1c2
• InChI: InChI=1S/C19H14O4/c1-11-6-19(20)23-18-9-17-15(8-14(11)18)16(10-22-17)12-4-3-5-13(7-12)21-2/h3-10H,1-2H3
• InChIKey: YEQDNFMYZJPKJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250947
• PubChem CID: 907049

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: 86.2711 cm^3
• Polarizability: 35.41996 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