(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl furan-2-carboxylate

• ChemBase ID: 200007
• Molecular Formular: C23H16O6
• Molecular Mass: 388.36954
• Monoisotopic Mass: 388.09468823
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(OC(=O)c1occc1)cc2
• Canonical SMILES: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccco1
• InChI: InChI=1S/C23H16O6/c1-26-18-8-3-2-6-15(18)7-4-9-19-22(24)17-12-11-16(14-21(17)29-19)28-23(25)20-10-5-13-27-20/h2-14H,1H3/b7-4+,19-9-
• InChIKey: JALXXSGKQPIKDC-DQMRVRKMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl furan-2-carboxylate
• IUPAC Traditional name: (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-1-benzofuran-6-yl furan-2-carboxylate

Database IDs

• PubChem SID: 164255917
• PubChem CID: 1804703

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.293501
• LogD (pH = 7.4): 4.293501
• Log P: 4.293501
• Molar Refractivity: 108.0219 cm^3
• Polarizability: 40.268944 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds