4-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethyl-2H-chromen-2-one

• ChemBase ID: 202036
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c3c(oc(=O)c2)c(c(cc3)C)C)oc2c(c1)cccc2OC
• Canonical SMILES: COc1cccc2c1oc(c2)c1cc(=O)oc2c1ccc(c2C)C
• InChI: InChI=1S/C20H16O4/c1-11-7-8-14-15(10-18(21)24-19(14)12(11)2)17-9-13-5-4-6-16(22-3)20(13)23-17/h4-10H,1-3H3
• InChIKey: ITJUHOHQPOSVHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylchromen-2-one

Database IDs

• PubChem SID: 164257946
• PubChem CID: 909035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.164854
• LogD (pH = 7.4): 4.164854
• Log P: 4.164854
• Molar Refractivity: 100.3655 cm^3
• Polarizability: 35.717785 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