1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one

C13H15ClO — CID 158974687

IUPAC1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
SMILESCC(CC1CC1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO/c1-9(8-10-2-3-10)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyJOFYKPMWMRWLGK-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one

1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one (PubChem CID 158974687) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
PubChem CID158974687
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one
SMILESCC(CC1CC1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO/c1-9(8-10-2-3-10)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyJOFYKPMWMRWLGK-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
2-bromo-1-(4-chlorophenyl)-3-cyclopentylpropan-1-one
CID 91437735
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
4-(4-chlorophenyl)-3-methyl-4-oxobutanoic acid
CID 2874620
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
methyl 4-(4-chlorophenyl)-3-methyl-4-oxobutanoate
CID 11470505
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
(2S)-1-(4-chlorophenyl)-2-methylbut-3-en-1-one
CID 145155044
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one (CID 158974687) is 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one is CC(CC1CC1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one?
The InChIKey is JOFYKPMWMRWLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-9(8-10-2-3-10)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one?
1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one has a molecular weight of 222.72 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-cyclopropyl-2-methylpropan-1-one is sourced from PubChem (CID 158974687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).