3-(2-methoxyphenyl)-1-(morpholin-4-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one

• ChemBase ID: 191171
• Molecular Formular: C23H29NO4
• Molecular Mass: 383.48066
• Monoisotopic Mass: 383.20965841
• SMILES: C(=O)(CC(c1c(OC)cccc1)c1ccc(OC(C)C)cc1)N1CCOCC1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)N1CCOCC1
• InChI: InChI=1S/C23H29NO4/c1-17(2)28-19-10-8-18(9-11-19)21(20-6-4-5-7-22(20)26-3)16-23(25)24-12-14-27-15-13-24/h4-11,17,21H,12-16H2,1-3H3
• InChIKey: JWBRXJNWZUZTNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-1-(morpholin-4-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-1-(morpholin-4-yl)propan-1-one

Database IDs

• PubChem SID: 164247081
• PubChem CID: 3256468

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3563352
• LogD (pH = 7.4): 3.3563354
• Log P: 3.3563354
• Molar Refractivity: 109.3941 cm^3
• Polarizability: 42.697815 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds