3-phenyl-5-propan-2-ylcyclopent-2-en-1-one

C14H16O — CID 11095650

IUPAC3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1CC(c2ccccc2)=CC1=O
InChIInChI=1S/C14H16O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3
InChIKeyARUBUCMYBFQLMH-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.32
Rot. Bonds2

About 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one

3-phenyl-5-propan-2-ylcyclopent-2-en-1-one (PubChem CID 11095650) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
PubChem CID11095650
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1CC(c2ccccc2)=CC1=O
InChIInChI=1S/C14H16O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3
InChIKeyARUBUCMYBFQLMH-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248
4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
CID 22173366
6-(2-methylbutyl)-3-phenylcyclohex-2-en-1-one
CID 54050542
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936
N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide
CID 134865350
(5R,6R)-6-(benzotriazol-1-yl)-3,5-diphenylcyclohex-2-en-1-one
CID 1246699
2,6-dimethyl-4-phenyl-2,3-dihydropyridine
CID 167254517
(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 13387957
2-[(1S)-2-oxo-4-phenylcyclohex-3-en-1-yl]acetic acid
CID 92979676
6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
CID 3911749
(4S,9S)-4,9-di(propan-2-yl)-2,11-dioxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraene-3,10-dione
CID 70274927
3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one (CID 11095650) is 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one is CC(C)C1CC(c2ccccc2)=CC1=O.
What is the InChIKey of 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is ARUBUCMYBFQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10(2)13-8-12(9-14(13)15)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one?
3-phenyl-5-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 11095650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).