2-cyclobutyl-1-(2-methylphenyl)ethanone

C13H16O — CID 65460155

IUPAC2-cyclobutyl-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CC1CCC1
InChIInChI=1S/C13H16O/c1-10-5-2-3-8-12(10)13(14)9-11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyJUEPLRDVDNCIEX-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.37
Rot. Bonds3

About 2-cyclobutyl-1-(2-methylphenyl)ethanone

2-cyclobutyl-1-(2-methylphenyl)ethanone (PubChem CID 65460155) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methylphenyl)ethanone
PubChem CID65460155
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-cyclobutyl-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CC1CCC1
InChIInChI=1S/C13H16O/c1-10-5-2-3-8-12(10)13(14)9-11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKeyJUEPLRDVDNCIEX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62622311
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CID 23596752
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-cyclopropyl-1-(2-iodophenyl)ethanone
CID 114974685
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
1-[4-(aminomethyl)-2-methylphenyl]-2-cycloheptylethanone
CID 58073973
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2-methylphenyl)ethanone (CID 65460155) is 2-cyclobutyl-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(2-methylphenyl)ethanone?
The InChIKey is JUEPLRDVDNCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-5-2-3-8-12(10)13(14)9-11-6-4-7-11/h2-3,5,8,11H,4,6-7,9H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-methylphenyl)ethanone?
2-cyclobutyl-1-(2-methylphenyl)ethanone has a molecular weight of 188.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 65460155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).