(3-Iodophenyl)methanol

C₇H₇IOCAS 57455-06-8234.04 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₇IO
Molar mass: 234.04 g/mol
Exact mass: 233.9542 Da
Boiling point: 165 °C (at 16 Torr)
logP: 1.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

57455-06-8

SMILES

OCc1cccc(I)c1

InChIKey

QGCCNWSXJHGUNL-UHFFFAOYSA-N

InChI

InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

9 names

Benzenemethanol, 3-iodo-
Benzyl alcohol, m-iodo-
3-Iodobenzenemethanol
m-Iodobenzyl alcohol
3-Iodobenzyl alcohol
3-(Hydroxymethyl)iodobenzene
3-(Hydroxymethyl)phenyl iodide
3-Hydroxymethyl-1-iodobenzene
1-Iodo-3-(hydroxymethyl)benzene

Work with (3-Iodophenyl)methanol

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

1,3-Benzenedimethanol626-18-665 % similar 3-Iodobenzyl bromide49617-83-657 % similar 3-Iodobenzylamine696-40-257 % similar 3-Fluorobenzyl alcohol456-47-354 % similar 3-Hydroxybenzyl alcohol620-24-654 % similar 3-Chlorobenzyl alcohol873-63-254 % similar 1,3-Diiodobenzene626-00-652 % similar 3-Bromobenzenemethanol15852-73-052 % similar

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

Same formula

2-Iodo-4-methylphenol16188-57-1 4-Iodobenzyl alcohol18282-51-4 2-Iodobenzyl alcohol5159-41-1 2-Iodoanisole529-28-2 4-Iodoanisole696-62-8 3-Iodoanisole766-85-8

Elsewhere

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