1-(2-chloro-3,4-dimethylphenyl)ethanone

C10H11ClO — CID 90395223

IUPAC1-(2-chloro-3,4-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1Cl
InChIInChI=1S/C10H11ClO/c1-6-4-5-9(8(3)12)10(11)7(6)2/h4-5H,1-3H3
InChIKeyINHRJPGHAXUJBD-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.16
Rot. Bonds1

About 1-(2-chloro-3,4-dimethylphenyl)ethanone

1-(2-chloro-3,4-dimethylphenyl)ethanone (PubChem CID 90395223) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethylphenyl)ethanone
PubChem CID90395223
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(2-chloro-3,4-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1Cl
InChIInChI=1S/C10H11ClO/c1-6-4-5-9(8(3)12)10(11)7(6)2/h4-5H,1-3H3
InChIKeyINHRJPGHAXUJBD-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
3-[(2-chloro-3,4-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 90395234
3-chloro-2-iodo-4-methylbenzoic acid
CID 14885550
1-(3-amino-2-chloro-4-hydroxyphenyl)ethanone
CID 154212695
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
CID 43369973
1-[2,4-dimethyl-3-(trifluoromethyl)phenyl]ethanone
CID 170996569
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3,4-dimethylphenyl)ethanone (CID 90395223) is 1-(2-chloro-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3,4-dimethylphenyl)ethanone is CC(=O)c1ccc(C)c(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3,4-dimethylphenyl)ethanone?
The InChIKey is INHRJPGHAXUJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-4-5-9(8(3)12)10(11)7(6)2/h4-5H,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethylphenyl)ethanone?
1-(2-chloro-3,4-dimethylphenyl)ethanone has a molecular weight of 182.65 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 90395223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).