trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one

C13H16O — CID 134902370

IUPACtrans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one
SMILESCC[C@@H]1CC(=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-2-10-8-12(13(14)9-10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyITXWJESAGRCMHM-CMPLNLGQSA-N
MW188.27 g/mol
LogP3.16
Rot. Bonds2

About trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one

trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one (PubChem CID 134902370) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one
PubChem CID134902370
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Nametrans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one
SMILESCC[C@@H]1CC(=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-2-10-8-12(13(14)9-10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyITXWJESAGRCMHM-CMPLNLGQSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-phenylcyclohexan-1-one
CID 156783397
(3S,4aS,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 124806552
ethane;(2R,4S,7R)-7-methyl-2,4-diphenylcyclooctan-1-one
CID 91576649
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
4-phenyl-1-azatricyclo[6.2.2.02,7]dodecan-5-one;hydrochloride
CID 71400890
trans-(2R,5S)-5-ethyl-2-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
CID 70371296
5-ethyl-2-[4-(4-heptylphenyl)phenyl]cyclohexan-1-one
CID 23041252
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one?
The IUPAC name of trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one (CID 134902370) is trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one?
The canonical SMILES for trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one is CC[C@@H]1CC(=O)[C@@H](c2ccccc2)C1.
What is the InChIKey of trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one?
The InChIKey is ITXWJESAGRCMHM-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H16O/c1-2-10-8-12(13(14)9-10)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one?
trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one is sourced from PubChem (CID 134902370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).