1-cyclopropyl-3-(2-methylphenyl)propan-1-one

C13H16O — CID 24725657

IUPAC1-cyclopropyl-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1CC1
InChIInChI=1S/C13H16O/c1-10-4-2-3-5-11(10)8-9-13(14)12-6-7-12/h2-5,12H,6-9H2,1H3
InChIKeyITABVQWFCCCEKE-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclopropyl-3-(2-methylphenyl)propan-1-one

1-cyclopropyl-3-(2-methylphenyl)propan-1-one (PubChem CID 24725657) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylphenyl)propan-1-one
PubChem CID24725657
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-cyclopropyl-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)C1CC1
InChIInChI=1S/C13H16O/c1-10-4-2-3-5-11(10)8-9-13(14)12-6-7-12/h2-5,12H,6-9H2,1H3
InChIKeyITABVQWFCCCEKE-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
3-(2-methylphenyl)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 105117697
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(2-methylphenyl)hept-6-yn-3-one
CID 105100824
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2-methylphenyl)propan-1-one (CID 24725657) is 1-cyclopropyl-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methylphenyl)propan-1-one?
The InChIKey is ITABVQWFCCCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-4-2-3-5-11(10)8-9-13(14)12-6-7-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-methylphenyl)propan-1-one?
1-cyclopropyl-3-(2-methylphenyl)propan-1-one has a molecular weight of 188.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 24725657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).