{1-[(4-chlorophenyl)methyl]cyclopropyl}methanol

• ChemBase ID: 246209
• Molecular Formular: C11H13ClO
• Molecular Mass: 196.67332
• Monoisotopic Mass: 196.06549272
• SMILES: C1(CC1)(Cc1ccc(Cl)cc1)CO
• Canonical SMILES: OCC1(CC1)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C11H13ClO/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4,13H,5-8H2
• InChIKey: UUIIQBKUMVZFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(4-chlorophenyl)methyl]cyclopropyl}methanol
• IUPAC Traditional name: {1-[(4-chlorophenyl)methyl]cyclopropyl}methanol
• Synonyms: {1-[(4-chlorophenyl)methyl]cyclopropyl}methanol

Database IDs

• MDL Number: MFCD21671059
• PubChem SID: 164302119
• PubChem CID: 66024775

CALCULATED PROPERTIES

• Acid pKa: 15.099317
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8224185
• LogD (pH = 7.4): 2.8224185
• Log P: 2.8224185
• Molar Refractivity: 54.1022 cm^3
• Polarizability: 21.205507 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.859

Product Information

• Purity: 95%