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

• ChemBase ID: 199308
• Molecular Formular: C23H22O4
• Molecular Mass: 362.41838
• Monoisotopic Mass: 362.15180918
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(cc2)OCC=C(C)C
• Canonical SMILES: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OCC=C(C)C
• InChI: InChI=1S/C23H22O4/c1-16(2)13-14-26-18-11-12-19-22(15-18)27-21(23(19)24)10-6-8-17-7-4-5-9-20(17)25-3/h4-13,15H,14H2,1-3H3/b8-6+,21-10-
• InChIKey: UDGUXQIICUYLOW-XNRSFFRDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255218
• PubChem CID: 1754934

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.7753935
• LogD (pH = 7.4): 4.7753935
• Log P: 4.7753935
• Molar Refractivity: 109.4095 cm^3
• Polarizability: 40.88349 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds