1-Chloro-3,5-dimethoxybenzene

C₈H₉ClO₂CAS 7051-16-3172.61 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉ClO₂
Molar mass: 172.61 g/mol
Exact mass: 172.0291 Da
Melting point: 38 °C
Boiling point: 113 °C (at NaN Torr)
logP: 2.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

7051-16-3

SMILES

COc1cc(Cl)cc(OC)c1

InChIKey

WQHNWJBSROXROL-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

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Names and synonyms

6 names

Benzene, 1-chloro-3,5-dimethoxy-
5-Chloro-1,3-dimethoxybenzene
3,5-Dimethoxychlorobenzene
5-Chlororesorcinol dimethyl ether
1,3-Dimethoxy-5-chlorobenzene
NSC 220095

Work with 1-Chloro-3,5-dimethoxybenzene

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-Dichloro-5-methoxybenzene33719-74-389 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-468 % similar 3-Chloro-5-methoxyphenol65262-96-668 % similar 1,3,5-Trimethoxybenzene621-23-867 % similar 3-Chloroanisole2845-89-863 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-961 % similar 4-Chloroanisole623-12-157 % similar 1,3-Dimethoxybenzene151-10-055 % similar

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

Same formula

(1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-0 2-(2-Chlorophenoxy)ethanol15480-00-9 2-(4-Chlorophenoxy)ethanol1892-43-9 2-Chloro-1,4-dimethoxybenzene2100-42-7

Elsewhere

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