3-Chloro-5-methoxyphenol

C₇H₇ClO₂CAS 65262-96-6158.58 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
Melting point: 99 °C
logP: 2.05Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

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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 3,5-Dichlorophenol591-35-556 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-455 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-955 % similar 3-Methoxyphenol150-19-653 % similar

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

Same formula

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

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