(2Z)-2-(2H-chromen-3-ylmethylidene)-6-methoxy-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 209985
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: C\1(=C\C2=Cc3c(OC2)cccc3)/C(=O)c2c(O1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)O/C(=C\C1=Cc3c(OC1)cccc3)/C2=O
• InChI: InChI=1S/C19H14O4/c1-21-14-6-7-15-17(10-14)23-18(19(15)20)9-12-8-13-4-2-3-5-16(13)22-11-12/h2-10H,11H2,1H3/b18-9-
• InChIKey: PSCWOEVBWBCKKZ-NVMNQCDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-methoxy-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-methoxy-1-benzofuran-3-one

Database IDs

• PubChem SID: 164265895
• PubChem CID: 1788925

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8953147
• LogD (pH = 7.4): 2.8953147
• Log P: 2.8953147
• Molar Refractivity: 88.0867 cm^3
• Polarizability: 33.019836 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds