4-(propan-2-yl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

• ChemBase ID: 189719
• Molecular Formular: C20H22O4
• Molecular Mass: 326.38628
• Monoisotopic Mass: 326.15180918
• SMILES: C(=O)(/C=C/c1cc(c(cc1)OC)OC)Oc1ccc(cc1)C(C)C
• Canonical SMILES: COc1ccc(cc1OC)/C=C/C(=O)Oc1ccc(cc1)C(C)C
• InChI: InChI=1S/C20H22O4/c1-14(2)16-7-9-17(10-8-16)24-20(21)12-6-15-5-11-18(22-3)19(13-15)23-4/h5-14H,1-4H3/b12-6+
• InChIKey: FZTUFQFZVCQYBE-WUXMJOGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
• IUPAC Traditional name: 4-isopropylphenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Database IDs

• PubChem SID: 164245629
• PubChem CID: 682555

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1029387
• LogD (pH = 7.4): 5.1029387
• Log P: 5.1029387
• Molar Refractivity: 94.7238 cm^3
• Polarizability: 36.50273 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds