3-phenyl-6-prop-2-enylcyclohex-2-en-1-one

C15H16O — CID 53359530

IUPAC3-phenyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1CCC(c2ccccc2)=CC1=O
InChIInChI=1S/C15H16O/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyLDEIVCOSZRDSLT-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.63
Rot. Bonds3

About 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one

3-phenyl-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 53359530) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID53359530
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name3-phenyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1CCC(c2ccccc2)=CC1=O
InChIInChI=1S/C15H16O/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2
InChIKeyLDEIVCOSZRDSLT-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-2-oxo-4-phenylcyclohex-3-en-1-yl]acetic acid
CID 92979676
6-(2-methylbutyl)-3-phenylcyclohex-2-en-1-one
CID 54050542
4-(3-oxo-4-prop-2-enylcyclopenten-1-yl)benzonitrile
CID 13356150
3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
CID 70523161
(5S)-5-prop-2-enylcycloheptane-1,4-dione
CID 16724096
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
5-prop-2-enyl-3-propylcyclopent-2-en-1-one
CID 10986593
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
CID 54046246
(3S,8aR)-3-phenyl-6-prop-2-enyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 16724684
(3R,4aR,5S)-4a,5-dimethyl-3-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11218249

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one (CID 53359530) is 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one is C=CCC1CCC(c2ccccc2)=CC1=O.
What is the InChIKey of 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is LDEIVCOSZRDSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2.
What are the key properties of 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one?
3-phenyl-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 53359530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).