2-[(4-methylphenyl)methyl]cyclopentan-1-one

C13H16O — CID 18714737

IUPAC2-[(4-methylphenyl)methyl]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14/h5-8,12H,2-4,9H2,1H3
InChIKeyAMWHISPUMUVDDD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.91
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]cyclopentan-1-one

2-[(4-methylphenyl)methyl]cyclopentan-1-one (PubChem CID 18714737) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]cyclopentan-1-one
PubChem CID18714737
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-[(4-methylphenyl)methyl]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14/h5-8,12H,2-4,9H2,1H3
InChIKeyAMWHISPUMUVDDD-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

2-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-one
CID 82185908
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
2-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 15472354
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
4-[(2-oxocyclohexyl)methyl]benzamide
CID 18698705
2-[[4-[(2S)-4-methyl-3-oxopentan-2-yl]phenyl]methyl]cyclopentan-1-one
CID 118474303
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one
CID 141482658
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
2-[(4-chloro-3-fluorophenyl)methyl]cyclopentan-1-one
CID 107882808
2-[2-(4-methylphenyl)sulfonylethyl]cyclopentan-1-one
CID 79576948

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]cyclopentan-1-one (CID 18714737) is 2-[(4-methylphenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]cyclopentan-1-one is Cc1ccc(CC2CCCC2=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]cyclopentan-1-one?
The InChIKey is AMWHISPUMUVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]cyclopentan-1-one?
2-[(4-methylphenyl)methyl]cyclopentan-1-one has a molecular weight of 188.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 18714737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).