1-(2-chloro-4-methylphenyl)propan-1-one

C10H11ClO — CID 103689347

IUPAC1-(2-chloro-4-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C10H11ClO/c1-3-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3
InChIKeyIRNFOUGFDQSATN-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)propan-1-one

1-(2-chloro-4-methylphenyl)propan-1-one (PubChem CID 103689347) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)propan-1-one
PubChem CID103689347
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(2-chloro-4-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C10H11ClO/c1-3-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3
InChIKeyIRNFOUGFDQSATN-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-[2-(chloromethyl)-4-methylphenyl]propan-1-one
CID 131189336
1-(2-chloro-4-methylphenyl)pent-3-yn-1-one
CID 106864833
ethyl 3-chloro-4-propanoylbenzoate
CID 134642129
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
CID 158414196
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)propan-1-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)propan-1-one (CID 103689347) is 1-(2-chloro-4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)propan-1-one is CCC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)propan-1-one?
The InChIKey is IRNFOUGFDQSATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-3-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)propan-1-one?
1-(2-chloro-4-methylphenyl)propan-1-one has a molecular weight of 182.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)propan-1-one is sourced from PubChem (CID 103689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).