2-Chloro-4-methoxyphenol

C7H7ClO2CAS 18113-03-6158.58 g/mol

Open in Covalent MOL file
OOHCl
Aryl halideEtherPhenol

Properties

Molecular formula
C7H7ClO2
Molar mass
158.58 g/mol
Exact mass
158.0135 Da
Melting point
46–47 °C
Boiling point
108 °C (at 15 Torr)
logP
2.05Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
18113-03-6
SMILES
COc1ccc(O)c(Cl)c1
InChIKey
GNVRRKLFFYSLGT-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

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Names and synonyms

1 names
  • Phenol, 2-chloro-4-methoxy-

Work with 2-Chloro-4-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 2-Bromo-4-methoxyphenol17332-11-561 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-561 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-760 % similar 2-Amino-4-methoxyphenol20734-76-358 % similar 4-Methoxy-2-methylphenol5307-05-158 % similar 2-Chloro-4-methoxy-1-methylbenzene54788-38-458 % similar 2-Fluoro-4-methoxyphenol167683-93-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-methoxyphenol16766-30-6 2-Chloro-5-methoxyphenol18113-04-7 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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