chempirical

4-Iodobenzyl alcohol

C7H7IOCAS 18282-51-4234.04 g/mol

Open in Covalent MOL file
HOI
AlcoholAryl halide

Properties

Molecular formula
C7H7IO
Molar mass
234.04 g/mol
Exact mass
233.9542 Da
Melting point
71–71.5 °C
Boiling point
135–136 °C (at 5 Torr)
logP
1.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
18282-51-4
SMILES
OCc1ccc(I)cc1
InChIKey
CNQRHSZYVFYOIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 4-iodo-
  • Benzyl alcohol, p-iodo-
  • 4-Iodobenzenemethanol
  • p-Iodobenzyl alcohol
  • (4-Iodophenyl)methanol

Work with 4-Iodobenzyl 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

Similar compounds

1,4-Benzenedimethanol589-29-767 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar Gastrodigenin623-05-252 % similar Benzyl alcohol100-51-650 % similar 4-Iodobenzyl bromide16004-15-250 % similar 4-(Chloromethyl)benzyl alcohol 9916473-35-150 % similar 1-Ethyl-4-iodobenzene25309-64-250 % similar [4-(Aminomethyl)phenyl]methanol39895-56-250 % similar

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

Same formula

2-Iodo-4-methylphenol16188-57-1 2-Iodobenzyl alcohol5159-41-1 2-Iodoanisole529-28-2 (3-Iodophenyl)methanol57455-06-8 4-Iodoanisole696-62-8 3-Iodoanisole766-85-8

Elsewhere

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