3-(3,4-dimethoxyphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 216366
• Molecular Formular: C19H14O5
• Molecular Mass: 322.31146
• Monoisotopic Mass: 322.08412355
• SMILES: c1(c2c(oc1)cc1oc(=O)ccc1c2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1coc2c1cc1ccc(=O)oc1c2
• InChI: InChI=1S/C19H14O5/c1-21-15-5-3-11(8-18(15)22-2)14-10-23-17-9-16-12(7-13(14)17)4-6-19(20)24-16/h3-10H,1-2H3
• InChIKey: MCXCNKODGVMICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164272276
• PubChem CID: 8016053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.274366
• LogD (pH = 7.4): 3.274366
• Log P: 3.274366
• Molar Refractivity: 88.4523 cm^3
• Polarizability: 36.0686 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds