3-Chloro-5-methoxyphenol

C7H7ClO2CAS 65262-96-6158.58 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
99 °C
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 the 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
65262-96-6
SMILES
COc1cc(O)cc(Cl)c1
InChIKey
LZVYZZFCAMPFOQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Phenol, 3-chloro-5-methoxy-

Work with 3-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

5-Methoxyresorcinol2174-64-368 % similar 1,3-Dichloro-5-methoxybenzene33719-74-368 % similar 3,5-Dimethoxyphenol500-99-268 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-368 % similar 3-Methoxy-5-methylphenol3209-13-057 % similar 3,5-Dichlorophenol591-35-556 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-455 % similar 3-Chloro-5-methoxybenzeneboronic acid915201-07-955 % 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-Chloro-5-methoxyphenol18113-04-7 2,5-Dimethyl-3-furancarbonyl chloride50990-93-7 5-Chloro-2-hydroxybenzenemethanol5330-38-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook