3-ethyl-6-phenylhex-5-en-2-one

C14H18O — CID 76864530

IUPAC3-ethyl-6-phenylhex-5-en-2-one
SMILESCCC(CC=Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H18O/c1-3-14(12(2)15)11-7-10-13-8-5-4-6-9-13/h4-10,14H,3,11H2,1-2H3
InChIKeyJVSOTSRJBCIRAG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.71
Rot. Bonds5

About 3-ethyl-6-phenylhex-5-en-2-one

3-ethyl-6-phenylhex-5-en-2-one (PubChem CID 76864530) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-ethyl-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name3-ethyl-6-phenylhex-5-en-2-one
PubChem CID76864530
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-ethyl-6-phenylhex-5-en-2-one
SMILESCCC(CC=Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H18O/c1-3-14(12(2)15)11-7-10-13-8-5-4-6-9-13/h4-10,14H,3,11H2,1-2H3
InChIKeyJVSOTSRJBCIRAG-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
CID 104681285
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
6-amino-2-[(E)-3-phenylprop-2-enyl]hexanoic acid
CID 104681542
4-(aminomethyl)-1-phenylhex-1-en-3-one
CID 174415908
acetic acid;stilbene
CID 172803728
4-chloropent-1-enylbenzene
CID 66808272
alumane;3-benzylpentan-2-one
CID 174773852
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
(E)-2-ethenyl-5-phenylpent-4-enoic acid
CID 101258339
CID 154717981
CID 154717981
5-phenylpent-4-en-2-yl carbamate
CID 175428401
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-phenylhex-5-en-2-one?
The IUPAC name of 3-ethyl-6-phenylhex-5-en-2-one (CID 76864530) is 3-ethyl-6-phenylhex-5-en-2-one.
What is the SMILES notation for 3-ethyl-6-phenylhex-5-en-2-one?
The canonical SMILES for 3-ethyl-6-phenylhex-5-en-2-one is CCC(CC=Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-ethyl-6-phenylhex-5-en-2-one?
The InChIKey is JVSOTSRJBCIRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-14(12(2)15)11-7-10-13-8-5-4-6-9-13/h4-10,14H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-6-phenylhex-5-en-2-one?
3-ethyl-6-phenylhex-5-en-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-phenylhex-5-en-2-one is sourced from PubChem (CID 76864530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).