cyclopropyl[4-(pentyloxy)phenyl]methanone

• ChemBase ID: 253538
• Molecular Formular: C15H20O2
• Molecular Mass: 232.3181
• Monoisotopic Mass: 232.14632988
• SMILES: C1(C(=O)c2ccc(cc2)OCCCCC)CC1
• Canonical SMILES: CCCCCOc1ccc(cc1)C(=O)C1CC1
• InChI: InChI=1S/C15H20O2/c1-2-3-4-11-17-14-9-7-13(8-10-14)15(16)12-5-6-12/h7-10,12H,2-6,11H2,1H3
• InChIKey: RPFVGYMTPMYAQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl[4-(pentyloxy)phenyl]methanone
• IUPAC Traditional name: cyclopropyl[4-(pentyloxy)phenyl]methanone
• Synonyms: cyclopropyl[4-(pentyloxy)phenyl]methanone

Database IDs

• MDL Number: MFCD09040572
• PubChem SID: 164309448
• PubChem CID: 16227885

CALCULATED PROPERTIES

• Acid pKa: 18.036669
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.921486
• LogD (pH = 7.4): 3.921486
• Log P: 3.921486
• Molar Refractivity: 68.7978 cm^3
• Polarizability: 26.90472 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.271

Product Information

• Purity: 95%