1-(3-Bromophenyl)-2-methylpropan-1-ol

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Basic information

Standard SMILES: CC(C)C(O)c1cccc(Br)c1
InChIKey: MEWCGLMNRLEPCD-UHFFFAOYSA-N
Molecular formula: C10H13BrO
Average molar mass: 229.11 g/mol
Monoisotopic mass: 228.01498

Names & identifiers

Preferred name: 1-(3-Bromophenyl)-2-methylpropan-1-ol
IUPAC: 1-(3-bromophenyl)-2-methylpropan-1-ol

Names & synonyms

1-(3-bromophenyl)-2-methylpropan-1-ol186000-55-5SCHEMBL1812811SCHEMBL18243085MEWCGLMNRLEPCD-UHFFFAOYSA-NMFCD12153602AKOS010014166DA-31237H68516A1-38540

Database identifiers

PubChem CID: 11085564
Nikkaji: J781.593J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 136

Related reactions

3 records

New reaction record

HRID 545243As productuspto-grants-2011_05

HRID 1172629As productuspto-grants-2010_11

HRID 1630376As productuspto-grants-2014_07

Compound notes

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