(5-bromo-3-methyl-1H-indol-2-yl)methanol

• ChemBase ID: 308574
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: [nH]1c(c(c2c1ccc(c2)Br)C)CO
• Canonical SMILES: OCc1[nH]c2c(c1C)cc(cc2)Br
• InChI: InChI=1S/C10H10BrNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3
• InChIKey: UXXWIWFJZKRNDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-3-methyl-1H-indol-2-yl)methanol
• IUPAC Traditional name: (5-bromo-3-methyl-1H-indol-2-yl)methanol
• Synonyms: (5-bromo-3-methyl-1H-indol-2-yl)methanol

Database IDs

• CAS Number: 666752-18-7
• MDL Number: MFCD11053994

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.506833
• LogD (pH = 7.4): 2.506833
• Log P: 2.506833
• Molar Refractivity: 56.5019 cm^3
• Polarizability: 22.450632 Å^3
• Polar Surface Area: 36.02 Å^2