2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one

C16H20O2 — CID 70255999

IUPAC2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
SMILESCc1cc(C)c(CC(=O)C2CCCC2=O)c(C)c1
InChIInChI=1S/C16H20O2/c1-10-7-11(2)14(12(3)8-10)9-16(18)13-5-4-6-15(13)17/h7-8,13H,4-6,9H2,1-3H3
InChIKeyQOGDHDDHFMGMHE-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.09
Rot. Bonds3

About 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one

2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one (PubChem CID 70255999) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
PubChem CID70255999
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
SMILESCc1cc(C)c(CC(=O)C2CCCC2=O)c(C)c1
InChIInChI=1S/C16H20O2/c1-10-7-11(2)14(12(3)8-10)9-16(18)13-5-4-6-15(13)17/h7-8,13H,4-6,9H2,1-3H3
InChIKeyQOGDHDDHFMGMHE-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70256242
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
2-tridecanoylcyclopentan-1-one
CID 59066894
1-(3-bicyclo[3.1.0]hexanyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966066
1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424
1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
CID 92840383
1-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylic acid
CID 54542229
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
2-(2-naphthalen-1-ylacetyl)cyclohexan-1-one
CID 142761893
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one (CID 70255999) is 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one is Cc1cc(C)c(CC(=O)C2CCCC2=O)c(C)c1.
What is the InChIKey of 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one?
The InChIKey is QOGDHDDHFMGMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-7-11(2)14(12(3)8-10)9-16(18)13-5-4-6-15(13)17/h7-8,13H,4-6,9H2,1-3H3.
What are the key properties of 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one?
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one is sourced from PubChem (CID 70255999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).