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

C9H11BrOCAS 52221-92-8215.09 g/mol

Open in Covalent MOL file
HOBr
AlcoholAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

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