1-(2-Bromophenyl)ethan-1-ol

C₈H₉BrOCAS 114446-55-8201.06 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
logP: 2.50Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

114446-55-8

SMILES

C[C@@H](C1=CC=CC=C1Br)O

InChIKey

DZLZSFZSPIUINR-LURJTMIESA-N

InChI

InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1

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Names and synonyms

1 names

(S)-1-(2-Bromophenyl)ethanol

Work with 1-(2-Bromophenyl)ethan-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-(1-methylethyl)benzene7073-94-158 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-255 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-655 % similar 1-(2-Chlorophenyl)ethanol13524-04-455 % similar 2-Fluoro-α-methylbenzenemethanol445-26-155 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-350 % similar 1-Phenylethanol13323-81-448 % similar (S)-1-Phenylethanol1445-91-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 2-Bromo-4-methylanisole22002-45-5 4-Bromo-2,6-dimethylphenol2374-05-2 1-Bromo-3-ethoxybenzene2655-84-7

Elsewhere

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