(1S)-1-(3-Bromophenyl)ethan-1-ol

C₈H₉BrOCAS 134615-22-8201.06 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

134615-22-8

SMILES

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

InChIKey

ULMJQMDYAOJNCC-LURJTMIESA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

(S)-1-(3-Bromophenyl)ethanol

Work with (1S)-1-(3-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-(3-Bromophenyl)ethanol52780-14-0100 % similar 1-(4-Bromophenyl)ethanol5391-88-859 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-958 % similar 3-Fluoro-α-methylbenzenemethanol402-63-158 % similar 3-Chloro-α-methylbenzenemethanol6939-95-358 % similar 3-(1-Hydroxyethyl)aniline2454-37-756 % similar 1-Phenylethanol13323-81-454 % similar (S)-1-Phenylethanol1445-91-654 % 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 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (+)-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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