(1R)-1-(3,4-dichlorophenyl)propan-1-ol

• ChemBase ID: 241794
• Molecular Formular: C9H10Cl2O
• Molecular Mass: 205.0811
• Monoisotopic Mass: 204.0108703
• SMILES: c1(cc(ccc1Cl)[C@H](O)CC)Cl
• Canonical SMILES: CC[C@H](c1ccc(c(c1)Cl)Cl)O
• InChI: InChI=1S/C9H10Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3/t9-/m1/s1
• InChIKey: PJYGECCAJOYJMK-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3,4-dichlorophenyl)propan-1-ol
• IUPAC Traditional name: (1R)-1-(3,4-dichlorophenyl)propan-1-ol
• Synonyms: (1R)-1-(3,4-dichlorophenyl)propan-1-ol

Database IDs

• MDL Number: MFCD18339588
• PubChem SID: 164297704
• PubChem CID: 25665793

CALCULATED PROPERTIES

• Acid pKa: 14.37964
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.353083
• LogD (pH = 7.4): 3.3530827
• Log P: 3.353083
• Molar Refractivity: 51.4263 cm^3
• Polarizability: 20.252892 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.248

Product Information

• Purity: 95%