5-(4-methoxyphenyl)-2,3,9-trimethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188365
• Molecular Formular: C21H18O4
• Molecular Mass: 334.36522
• Monoisotopic Mass: 334.12050906
• SMILES: c12c(c(c(o1)C)C)cc1c(c2C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(C)c(oc1c2C)C
• InChI: InChI=1S/C21H18O4/c1-11-13(3)24-20-12(2)21-18(9-16(11)20)17(10-19(22)25-21)14-5-7-15(23-4)8-6-14/h5-10H,1-4H3
• InChIKey: WIOCHMDORGGYEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-2,3,9-trimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-2,3,9-trimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164244275
• PubChem CID: 707773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4444146
• LogD (pH = 7.4): 4.4444146
• Log P: 4.4444146
• Molar Refractivity: 105.6377 cm^3
• Polarizability: 37.472866 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