3-(2-Bromo-phenyl)-propan-1-ol

C₉H₁₁BrOCAS 52221-92-8215.09 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₉H₁₁BrO
Molar mass: 215.09 g/mol
Exact mass: 213.9993 Da
logP: 2.37Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

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

52221-92-8

SMILES

C1=CC=C(C(=C1)CCCO)Br

InChIKey

VODAJGPTULSNSU-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2

Weigh it out

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

Names and synonyms

1 names

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

Work with 3-(2-Bromo-phenyl)-propan-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

2-Bromobenzeneethanol1074-16-476 % similar 2-Bromobenzyl alcohol18982-54-256 % similar Benzenepropanol122-97-454 % similar 2-Bromophenethylamine65185-58-252 % similar 3-(2-Bromophenyl)propionic acid15115-58-947 % similar Indole-3-propanol3569-21-947 % similar Benzenebutanol3360-41-646 % similar 2-Bromobenzyl bromide3433-80-546 % similar

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

Same formula

1-Bromo-3-isopropoxybenzene131738-73-3 Benzyl 2-bromoethyl ether1462-37-9 4-Bromo-2,6-dimethylanisole14804-38-7 2-(4-Bromophenyl)propan-2-ol2077-19-2 3-(4-Bromophenyl)propan-1-ol25574-11-2 1-Bromo-4-propoxybenzene39969-56-7 (3-Bromopropoxy)benzene588-63-6 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook