3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one

C18H24O2 — CID 166695419

IUPAC3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(=O)C1CCC(CC(C)(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C18H24O2/c1-13(19)16-10-9-14(11-16)12-18(2,3)17(20)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyVTGWLOGEBCHWEA-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.29
Rot. Bonds5

About 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one

3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 166695419) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID166695419
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(=O)C1CCC(CC(C)(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C18H24O2/c1-13(19)16-10-9-14(11-16)12-18(2,3)17(20)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyVTGWLOGEBCHWEA-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
CID 24722332
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 55163333
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
2-ethyl-2-hydroxy-1-phenylbutane-1,3-dione
CID 174851093
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
1-[(1R,3R)-3-[(4-phenylthiophen-2-yl)methyl]cyclopentyl]ethanone;trans-(1R,3R)-3-[(4-phenylthiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 159051586
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one (CID 166695419) is 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one is CC(=O)C1CCC(CC(C)(C)C(=O)c2ccccc2)C1.
What is the InChIKey of 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is VTGWLOGEBCHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-13(19)16-10-9-14(11-16)12-18(2,3)17(20)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3.
What are the key properties of 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one?
3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 166695419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).