2-(4-Bromophenyl)propan-2-ol

C9H11BrOCAS 2077-19-2215.09 g/mol

Open in Covalent MOL file
BrOH
AlcoholAryl halide

Properties

Molecular formula
C9H11BrO
Molar mass
215.09 g/mol
Exact mass
213.9993 Da
logP
2.68Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
2077-19-2
SMILES
CC(C)(C1=CC=C(C=C1)Br)O
InChIKey
AOGYBHJTXLXRSM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3

Weigh it out

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Work with 2-(4-Bromophenyl)propan-2-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

α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-171 % similar 1-Bromo-4-tert-butylbenzene3972-65-456 % similar 2-Phenyl-2-propanol617-94-756 % similar 1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-556 % similar 2-(4-Fluorophenyl)-2-propanol402-41-556 % similar 2-(6-Bromo-3-pyridyl)-2-propanol477252-29-252 % similar Tetrakis(4-bromophenyl)methane105309-59-950 % similar 4-Bromo-4'-(tert-butyl)biphenyl162258-89-150 % 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 3-(4-Bromophenyl)propan-1-ol25574-11-2 1-Bromo-4-propoxybenzene39969-56-7 3-(2-Bromo-phenyl)-propan-1-ol52221-92-8 (3-Bromopropoxy)benzene588-63-6 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

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