1-(4-chloro-3-methylphenyl)ethanone;ethane

C11H15ClO — CID 143383173

IUPAC1-(4-chloro-3-methylphenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C9H9ClO.C2H6/c1-6-5-8(7(2)11)3-4-9(6)10;1-2/h3-5H,1-2H3;1-2H3
InChIKeyYSTASSFYJPTMIN-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.88
Rot. Bonds1

About 1-(4-chloro-3-methylphenyl)ethanone;ethane

1-(4-chloro-3-methylphenyl)ethanone;ethane (PubChem CID 143383173) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)ethanone;ethane
PubChem CID143383173
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(4-chloro-3-methylphenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C9H9ClO.C2H6/c1-6-5-8(7(2)11)3-4-9(6)10;1-2/h3-5H,1-2H3;1-2H3
InChIKeyYSTASSFYJPTMIN-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
1-(4-chloro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 112698739
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
1-(4-chloro-3-methylphenyl)-4-methylpent-4-en-1-one
CID 115802948
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
[1-(4-chloro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146005911
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)ethanone;ethane?
The IUPAC name of 1-(4-chloro-3-methylphenyl)ethanone;ethane (CID 143383173) is 1-(4-chloro-3-methylphenyl)ethanone;ethane.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)ethanone;ethane?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)ethanone;ethane is CC.CC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)ethanone;ethane?
The InChIKey is YSTASSFYJPTMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO.C2H6/c1-6-5-8(7(2)11)3-4-9(6)10;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)ethanone;ethane?
1-(4-chloro-3-methylphenyl)ethanone;ethane has a molecular weight of 198.69 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)ethanone;ethane is sourced from PubChem (CID 143383173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).