(R)-4-Bromo-alpha-methylbenzyl alcohol

C₈H₉BrOCAS 76155-78-7201.06 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: Rin 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

76155-78-7

SMILES

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

InChIKey

XTDTYSBVMBQIBT-ZCFIWIBFSA-N

InChI

InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(1R)-1-(4-Bromophenyl)ethan-1-ol

Work with (R)-4-Bromo-alpha-methylbenzyl alcohol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1Enantiomer 1-(4-Bromophenyl)ethanol5391-88-8Stereo not defined

Similar compounds

1-(4-Hydroxyphenyl)ethanol2380-91-864 % similar 1-(3-Bromophenyl)ethanol52780-14-059 % similar 1-(4-Methylphenyl)ethanol536-50-558 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenylethanol98-85-156 % similar

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

Same formula

2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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