3-(3-methoxyphenyl)-4,8,9-trimethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 195053
• Molecular Formular: C21H18O4
• Molecular Mass: 334.36522
• Monoisotopic Mass: 334.12050906
• SMILES: c12c(c(c(=O)oc2cc(c2c1occ2c1cc(OC)ccc1)C)C)C
• Canonical SMILES: COc1cccc(c1)c1coc2c1c(C)cc1c2c(C)c(c(=O)o1)C
• InChI: InChI=1S/C21H18O4/c1-11-8-17-19(12(2)13(3)21(22)25-17)20-18(11)16(10-24-20)14-6-5-7-15(9-14)23-4/h5-10H,1-4H3
• InChIKey: JKYUOTQIOPAHCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-4,8,9-trimethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 3-(3-methoxyphenyl)-4,8,9-trimethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164250963
• PubChem CID: 907054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6404037
• LogD (pH = 7.4): 4.6404037
• Log P: 4.6404037
• Molar Refractivity: 95.6694 cm^3
• Polarizability: 39.03407 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