1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone

C13H16O — CID 61080285

IUPAC1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC2C)cc1
InChIInChI=1S/C13H16O/c1-9-3-5-11(6-4-9)8-13(14)12-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXYXKMPOUOLVWKG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone

1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone (PubChem CID 61080285) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
PubChem CID61080285
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC2C)cc1
InChIInChI=1S/C13H16O/c1-9-3-5-11(6-4-9)8-13(14)12-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXYXKMPOUOLVWKG-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66477283
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone (CID 61080285) is 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CC2C)cc1.
What is the InChIKey of 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone?
The InChIKey is XYXKMPOUOLVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-3-5-11(6-4-9)8-13(14)12-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone?
1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone has a molecular weight of 188.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 61080285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).