2-Chloro-5-methoxyphenol

C₇H₇ClO₂CAS 18113-04-7158.58 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol

Properties

Molecular formula: C₇H₇ClO₂
Molar mass: 158.58 g/mol
Exact mass: 158.0135 Da
Boiling point: 120–127 °C (at 17 Torr)
logP: 2.05Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18113-04-7

SMILES

COc1ccc(Cl)c(O)c1

InChIKey

KULSVCANYQIOFD-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

2 names

Phenol, 2-chloro-5-methoxy-
6-Chloro-3-methoxyphenol

Work with 2-Chloro-5-methoxyphenol

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

1,2-Dichloro-4-methoxybenzene36404-30-564 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-960 % similar 2,5-Dimethoxyphenol18113-18-360 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-060 % similar 2-Chloro-5-methoxybenzenamine2401-24-358 % similar 3-Bromo-4-chloroanisole2732-80-156 % similar 1-Chloro-2-fluoro-4-methoxybenzene501-29-156 % similar 2-Bromo-5-methoxyphenol63604-94-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-methoxyphenol16766-30-6 2-Chloro-4-methoxyphenol18113-03-6 2,5-Dimethyl-3-furancarbonyl chloride50990-93-7 5-Chloro-2-hydroxybenzenemethanol5330-38-1 3-Chloro-5-methoxyphenol65262-96-6

Elsewhere

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