2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone

C17H24O — CID 7054018

IUPAC2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
SMILESC[C@H]1CC[C@@](C)(C(=O)Cc2ccccc2)C1(C)C
InChIInChI=1S/C17H24O/c1-13-10-11-17(4,16(13,2)3)15(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,17-/m0/s1
InChIKeyHIAZWIMMBMMADB-GUYCJALGSA-N
MW244.38 g/mol
LogP4.26
Rot. Bonds3

About 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone

2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone (PubChem CID 7054018) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
PubChem CID7054018
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
SMILESC[C@H]1CC[C@@](C)(C(=O)Cc2ccccc2)C1(C)C
InChIInChI=1S/C17H24O/c1-13-10-11-17(4,16(13,2)3)15(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,17-/m0/s1
InChIKeyHIAZWIMMBMMADB-GUYCJALGSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione
CID 7054264
2,2-dimethyl-1-[1-(2-phenylacetyl)cyclopropyl]propan-1-one
CID 160648622
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
[2-oxo-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054286
[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054284
cis-(1S,3S)-1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 7054124
trans-(1S,3R)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 721280
[3-oxo-3-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate
CID 7054309
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 2750766
1-O-[[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] 2-O-[[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methyl] benzene-1,2-dicarboxylate
CID 162882025
1-O-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] 2-O-[[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]methyl] benzene-1,2-dicarboxylate
CID 7054254

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone?
The IUPAC name of 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone (CID 7054018) is 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone?
The canonical SMILES for 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone is C[C@H]1CC[C@@](C)(C(=O)Cc2ccccc2)C1(C)C.
What is the InChIKey of 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone?
The InChIKey is HIAZWIMMBMMADB-GUYCJALGSA-N. The full InChI is InChI=1S/C17H24O/c1-13-10-11-17(4,16(13,2)3)15(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/t13-,17-/m0/s1.
What are the key properties of 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone?
2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone is sourced from PubChem (CID 7054018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).