1-(4-chloro-2,6-dimethylphenyl)ethanone

C10H11ClO — CID 53402864

IUPAC1-(4-chloro-2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3
InChIKeyYTPYRGOFBLEEBD-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.16
Rot. Bonds1

About 1-(4-chloro-2,6-dimethylphenyl)ethanone

1-(4-chloro-2,6-dimethylphenyl)ethanone (PubChem CID 53402864) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)ethanone
PubChem CID53402864
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3
InChIKeyYTPYRGOFBLEEBD-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

Analyze 1-(4-chloro-2,6-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)ethanone (CID 53402864) is 1-(4-chloro-2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2,6-dimethylphenyl)ethanone is CC(=O)c1c(C)cc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)ethanone?
The InChIKey is YTPYRGOFBLEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)ethanone?
1-(4-chloro-2,6-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-(4-chloro-2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 53402864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).