[5-bromo-2-(prop-2-en-1-yloxy)phenyl]methanol

• ChemBase ID: 311997
• Molecular Formular: C10H11BrO2
• Molecular Mass: 243.09714
• Monoisotopic Mass: 241.99424159
• SMILES: c1(c(ccc(c1)Br)OCC=C)CO
• Canonical SMILES: C=CCOc1ccc(cc1CO)Br
• InChI: InChI=1S/C10H11BrO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h2-4,6,12H,1,5,7H2
• InChIKey: LBKGGLGIUVMBSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-bromo-2-(prop-2-en-1-yloxy)phenyl]methanol
• IUPAC Traditional name: [5-bromo-2-(prop-2-en-1-yloxy)phenyl]methanol
• Synonyms: [2-(allyloxy)-5-bromophenyl]methanol

Database IDs

• CAS Number: 187230-43-9
• MDL Number: MFCD04210112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5482273
• LogD (pH = 7.4): 2.5482273
• Log P: 2.5482273
• Molar Refractivity: 56.1226 cm^3
• Polarizability: 21.530338 Å^3
• Polar Surface Area: 29.46 Å^2