1-(4-ethenylphenyl)pent-2-en-1-one

C13H14O — CID 173330480

IUPAC1-(4-ethenylphenyl)pent-2-en-1-one
SMILESC=Cc1ccc(C(=O)C=CCC)cc1
InChIInChI=1S/C13H14O/c1-3-5-6-13(14)12-9-7-11(4-2)8-10-12/h4-10H,2-3H2,1H3
InChIKeyCIIQAJJCLAPZDI-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-ethenylphenyl)pent-2-en-1-one

1-(4-ethenylphenyl)pent-2-en-1-one (PubChem CID 173330480) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethenylphenyl)pent-2-en-1-one
PubChem CID173330480
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(4-ethenylphenyl)pent-2-en-1-one
SMILESC=Cc1ccc(C(=O)C=CCC)cc1
InChIInChI=1S/C13H14O/c1-3-5-6-13(14)12-9-7-11(4-2)8-10-12/h4-10H,2-3H2,1H3
InChIKeyCIIQAJJCLAPZDI-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
(E)-1-(4-fluorophenyl)pent-2-en-1-one
CID 19551234
(Z)-1-phenylpent-2-en-1-one
CID 91998885
hex-3-en-2-one;styrene
CID 159171709
4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoic acid;styrene
CID 174464147
1-(4-ethenylphenyl)butane-1,3-dione
CID 11622470
4-ethenylbenzoic acid;silver
CID 58108047
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 71400439
1-butoxy-4-ethenylbenzene;4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 174464143
(E)-1-(3-fluoro-4-methoxyphenyl)pent-2-en-1-one
CID 103454138
silver 4-ethenylbenzoate
CID 86649830

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)pent-2-en-1-one?
The IUPAC name of 1-(4-ethenylphenyl)pent-2-en-1-one (CID 173330480) is 1-(4-ethenylphenyl)pent-2-en-1-one.
What is the SMILES notation for 1-(4-ethenylphenyl)pent-2-en-1-one?
The canonical SMILES for 1-(4-ethenylphenyl)pent-2-en-1-one is C=Cc1ccc(C(=O)C=CCC)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)pent-2-en-1-one?
The InChIKey is CIIQAJJCLAPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-3-5-6-13(14)12-9-7-11(4-2)8-10-12/h4-10H,2-3H2,1H3.
What are the key properties of 1-(4-ethenylphenyl)pent-2-en-1-one?
1-(4-ethenylphenyl)pent-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)pent-2-en-1-one is sourced from PubChem (CID 173330480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).