(S)-1-(3-Bromo-2-methoxyphenyl)ethan-1-ol

C₉H₁₁BrO₂CAS 952103-45-6231.09 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₉H₁₁BrO₂
Molar mass: 231.09 g/mol
Exact mass: 229.9942 Da
logP: 2.51Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

952103-45-6

SMILES

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

InChIKey

VCOGPOSOMAJBNU-LURJTMIESA-N

InChI

InChI=1S/C9H11BrO2/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-6,11H,1-2H3/t6-/m0/s1

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Names and synonyms

1 names

(S)-1-(3-Bromo-2-methoxyphenyl)ethanol

Work with (S)-1-(3-Bromo-2-methoxyphenyl)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-(2-Bromophenyl)ethan-1-ol114446-55-859 % similar (R)-1-(2-Bromophenyl)ethanol76116-20-659 % similar 2,6-Dibromoanisole38603-09-757 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-150 % similar 2-Amino-6-bromoanisole116557-46-149 % similar 2-Bromo-6-fluoroanisole845829-94-947 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-244 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-644 % similar

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

Same formula

4-Bromobenzaldehyde dimethyl acetal24856-58-4 1-(2-Bromoethoxy)-2-methoxybenzene4463-59-6 3,5-Dimethoxybenzyl bromide877-88-3

Elsewhere

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