1-Chloro-4-methoxy-2-methylbenzene

C₈H₉ClOCAS 13334-71-9156.61 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉ClO
Molar mass: 156.61 g/mol
Exact mass: 156.0342 Da
logP: 2.66Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation17% of notifiers

Aggregated from 47 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

13334-71-9

SMILES

CC1=C(C=CC(=C1)OC)Cl

InChIKey

SDGMUBWPXBSKCT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-methylanisole

Work with 1-Chloro-4-methoxy-2-methylbenzene

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

2-Chloro-4-methoxy-1-methylbenzene54788-38-474 % similar 1,2-Dichloro-4-methoxybenzene36404-30-569 % similar 3,4-Dimethylanisole4685-47-665 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-064 % similar 2-Chloro-5-methoxybenzenamine2401-24-362 % similar 2,5-Dimethoxytoluene24599-58-461 % similar 2-Chloro-5-methoxyphenol18113-04-760 % similar 3-Bromo-4-chloroanisole2732-80-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9 4-(Chloromethyl)benzyl alcohol 9916473-35-1

Elsewhere

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