(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methoxybenzoate

• ChemBase ID: 201773
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: C\1(=C\c2ccc(cc2)C)/C(=O)c2c(O1)cc(OC(=O)c1c(OC)cccc1)cc2
• Canonical SMILES: COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C)/C2=O
• InChI: InChI=1S/C24H18O5/c1-15-7-9-16(10-8-15)13-22-23(25)18-12-11-17(14-21(18)29-22)28-24(26)19-5-3-4-6-20(19)27-2/h3-14H,1-2H3/b22-13-
• InChIKey: GZTUXFPHBFDJAJ-XKZIYDEJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methoxybenzoate
• IUPAC Traditional name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl 2-methoxybenzoate

Database IDs

• PubChem SID: 164257683
• PubChem CID: 1762135

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.21946
• LogD (pH = 7.4): 5.21946
• Log P: 5.21946
• Molar Refractivity: 110.3536 cm^3
• Polarizability: 41.70175 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds