(2Z)-6-(benzyloxy)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 198744
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(OCc1ccccc1)cc2
• Canonical SMILES: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C25H20O4/c1-27-22-12-6-5-10-19(22)11-7-13-23-25(26)21-15-14-20(16-24(21)29-23)28-17-18-8-3-2-4-9-18/h2-16H,17H2,1H3/b11-7+,23-13-
• InChIKey: UQSNFABSTCLOKT-ORSAQNTLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-(benzyloxy)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-(benzyloxy)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164254654
• PubChem CID: 1753382

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1386204
• LogD (pH = 7.4): 5.1386204
• Log P: 5.1386204
• Molar Refractivity: 114.9039 cm^3
• Polarizability: 43.355022 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds