1-(2,5-dichloro-4-methylphenyl)ethanone

C9H8Cl2O — CID 22886651

IUPAC1-(2,5-dichloro-4-methylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,1-2H3
InChIKeyCKTIZTAADQHDCT-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.50
Rot. Bonds1

About 1-(2,5-dichloro-4-methylphenyl)ethanone

1-(2,5-dichloro-4-methylphenyl)ethanone (PubChem CID 22886651) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)ethanone
PubChem CID22886651
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1-(2,5-dichloro-4-methylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,1-2H3
InChIKeyCKTIZTAADQHDCT-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)ethanone?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)ethanone (CID 22886651) is 1-(2,5-dichloro-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)ethanone is CC(=O)c1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)ethanone?
The InChIKey is CKTIZTAADQHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)ethanone?
1-(2,5-dichloro-4-methylphenyl)ethanone has a molecular weight of 203.07 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)ethanone is sourced from PubChem (CID 22886651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).