1-(4-bromophenyl)propan-1-ol

• ChemBase ID: 310562
• Molecular Formular: C9H11BrO
• Molecular Mass: 215.08704
• Monoisotopic Mass: 213.99932697
• SMILES: c1(ccc(cc1)Br)C(O)CC
• Canonical SMILES: CCC(c1ccc(cc1)Br)O
• InChI: InChI=1S/C9H11BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3
• InChIKey: QLMFTKHAIDWIDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)propan-1-ol
• IUPAC Traditional name: 1-(4-bromophenyl)propan-1-ol
• Synonyms: 1-(4-bromophenyl)-1-propanol

Database IDs

• CAS Number: 4489-22-9
• MDL Number: MFCD00021911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.913746
• LogD (pH = 7.4): 2.913746
• Log P: 2.913746
• Molar Refractivity: 49.4395 cm^3
• Polarizability: 19.224281 Å^3
• Polar Surface Area: 20.23 Å^2