1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one

C13H15ClO — CID 106865007

IUPAC1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
SMILESCc1ccc(C(=O)CCC2CC2)c(Cl)c1
InChIInChI=1S/C13H15ClO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3
InChIKeyNVDZWSFRVVISMB-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one

1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one (PubChem CID 106865007) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
PubChem CID106865007
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
SMILESCc1ccc(C(=O)CCC2CC2)c(Cl)c1
InChIInChI=1S/C13H15ClO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3
InChIKeyNVDZWSFRVVISMB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 114978262
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CID 146009717
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
CID 158414196
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
3-[1-(2-chloro-4-methylbenzoyl)pyrrolidin-3-yl]propanoic acid
CID 106860665
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
1-(2-chloro-4-methylphenyl)-6-piperidin-1-ylhexan-1-one
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1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one (CID 106865007) is 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one is Cc1ccc(C(=O)CCC2CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one?
The InChIKey is NVDZWSFRVVISMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-9-2-6-11(12(14)8-9)13(15)7-5-10-3-4-10/h2,6,8,10H,3-5,7H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one?
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one has a molecular weight of 222.72 g/mol, XLogP of 4.02, 4 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)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 106865007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).