(2Z)-2-{[4-(propan-2-yloxy)phenyl]methylidene}-1,2,3,4-tetrahydronaphthalen-1-one

• ChemBase ID: 181866
• Molecular Formular: C20H20O2
• Molecular Mass: 292.3716
• Monoisotopic Mass: 292.14632988
• SMILES: C\1(=C/c2ccc(OC(C)C)cc2)/C(=O)c2c(CC1)cccc2
• Canonical SMILES: CC(Oc1ccc(cc1)/C=C\1/CCc2c(C1=O)cccc2)C
• InChI: InChI=1S/C20H20O2/c1-14(2)22-18-11-7-15(8-12-18)13-17-10-9-16-5-3-4-6-19(16)20(17)21/h3-8,11-14H,9-10H2,1-2H3/b17-13-
• InChIKey: SSVDLFBJSXUUJZ-LGMDPLHJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-{[4-(propan-2-yloxy)phenyl]methylidene}-1,2,3,4-tetrahydronaphthalen-1-one
• IUPAC Traditional name: (2Z)-2-[(4-isopropoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

Database IDs

• PubChem SID: 164237776
• PubChem CID: 1219211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.951283
• LogD (pH = 7.4): 4.951283
• Log P: 4.951283
• Molar Refractivity: 90.1037 cm^3
• Polarizability: 34.44005 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds