2-chloro-4-methoxy-1-methylbenzene

C8H9ClO — CID 6951757

IUPAC2-chloro-4-methoxy-1-methylbenzene
SMILESCOc1ccc(C)c(Cl)c1
InChIInChI=1S/C8H9ClO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyZMZVVVASCILFJL-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.66
Rot. Bonds1

About 2-chloro-4-methoxy-1-methylbenzene

2-chloro-4-methoxy-1-methylbenzene (PubChem CID 6951757) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 2-chloro-4-methoxy-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-methoxy-1-methylbenzene
PubChem CID6951757
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name2-chloro-4-methoxy-1-methylbenzene
SMILESCOc1ccc(C)c(Cl)c1
InChIInChI=1S/C8H9ClO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyZMZVVVASCILFJL-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
bis(3-chloro-4-methylphenoxy)-oxophosphanium
CID 154133035
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
sodium 2-chloro-4-methoxyphenolate
CID 23710122
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
(3-chloro-4-methylphenyl) carbamate
CID 18431892
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-1-methylbenzene?
The IUPAC name of 2-chloro-4-methoxy-1-methylbenzene (CID 6951757) is 2-chloro-4-methoxy-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-methoxy-1-methylbenzene?
The canonical SMILES for 2-chloro-4-methoxy-1-methylbenzene is COc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-1-methylbenzene?
The InChIKey is ZMZVVVASCILFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-1-methylbenzene?
2-chloro-4-methoxy-1-methylbenzene has a molecular weight of 156.61 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-1-methylbenzene is sourced from PubChem (CID 6951757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).