(5-bromo-2-propoxyphenyl)methanol

• ChemBase ID: 312005
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: c1(c(ccc(c1)Br)OCCC)CO
• Canonical SMILES: CCCOc1ccc(cc1CO)Br
• InChI: InChI=1S/C10H13BrO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6,12H,2,5,7H2,1H3
• InChIKey: UQOIAUZZKJVNKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-propoxyphenyl)methanol
• IUPAC Traditional name: (5-bromo-2-propoxyphenyl)methanol
• Synonyms: (5-bromo-2-propoxyphenyl)methanol

Database IDs

• CAS Number: 693823-10-8
• MDL Number: MFCD03998908

CALCULATED PROPERTIES

• Molar Refractivity: 56.2325 cm^3
• Polarizability: 21.782629 Å^3
• Polar Surface Area: 29.46 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6963077
• LogD (pH = 7.4): 2.6963077
• Log P: 2.6963077