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

• ChemBase ID: 196827
• Molecular Formular: C18H12O4
• Molecular Mass: 292.28548
• Monoisotopic Mass: 292.07355886
• SMILES: c1(c2c3c(oc(=O)c2)cc(cc3)OC)oc2c(c1)cccc2
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2c(o1)cccc2
• InChI: InChI=1S/C18H12O4/c1-20-12-6-7-13-14(10-18(19)22-17(13)9-12)16-8-11-4-2-3-5-15(11)21-16/h2-10H,1H3
• InChIKey: HVJZIPHIHDWKTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)-7-methoxy-2H-chromen-2-one
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)-7-methoxychromen-2-one

Database IDs

• PubChem SID: 164252737
• PubChem CID: 364364

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1380115
• LogD (pH = 7.4): 3.1380115
• Log P: 3.1380115
• Molar Refractivity: 90.2831 cm^3
• Polarizability: 32.179478 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