1-(4-bromophenyl)butan-1-ol

• ChemBase ID: 310563
• Molecular Formular: C10H13BrO
• Molecular Mass: 229.11362
• Monoisotopic Mass: 228.01497704
• SMILES: c1(ccc(cc1)Br)C(O)CCC
• Canonical SMILES: CCCC(c1ccc(cc1)Br)O
• InChI: InChI=1S/C10H13BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
• InChIKey: DQQQQAUVVHNVPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)butan-1-ol
• IUPAC Traditional name: 1-(4-bromophenyl)butan-1-ol
• Synonyms: 1-(4-bromophenyl)-1-butanol

Database IDs

• CAS Number: 22135-53-1
• MDL Number: MFCD00021926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3583148
• LogD (pH = 7.4): 3.3583148
• Log P: 3.3583148
• Molar Refractivity: 54.0405 cm^3
• Polarizability: 21.045748 Å^3
• Polar Surface Area: 20.23 Å^2