[(Z)-2-phenylpent-3-enyl] acetate

C13H16O2 — CID 10512396

IUPAC[(Z)-2-phenylpent-3-enyl] acetate
SMILESC/C=C\C(COC(C)=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-7-13(10-15-11(2)14)12-8-5-4-6-9-12/h3-9,13H,10H2,1-2H3/b7-3-
InChIKeyRNARISPNZVPEEJ-CLTKARDFSA-N
MW204.27 g/mol
LogP2.91
Rot. Bonds4

About [(Z)-2-phenylpent-3-enyl] acetate

[(Z)-2-phenylpent-3-enyl] acetate (PubChem CID 10512396) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is [(Z)-2-phenylpent-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-phenylpent-3-enyl] acetate
PubChem CID10512396
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name[(Z)-2-phenylpent-3-enyl] acetate
SMILESC/C=C\C(COC(C)=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-7-13(10-15-11(2)14)12-8-5-4-6-9-12/h3-9,13H,10H2,1-2H3/b7-3-
InChIKeyRNARISPNZVPEEJ-CLTKARDFSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-phenylpropyl] acetate
CID 10261650
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
(E)-2-phenylpent-3-en-1-amine
CID 131236812
diethyl 2-phenyl-3-[(E)-prop-1-enyl]butanedioate
CID 14241585
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
(2-acetamido-3-hydroxy-3-phenylpropyl) acetate
CID 117066355
(3-chloro-2-oxo-3-phenylpropyl) acetate
CID 141131130
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
CID 15261942
2-methylpropyl acetate;toluene
CID 19602176
oct-2-en-4-ylbenzene
CID 73177891
[2-(2,5-dioxopyrrol-1-yl)-2-phenylethyl] acetate
CID 19962428

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-phenylpent-3-enyl] acetate?
The IUPAC name of [(Z)-2-phenylpent-3-enyl] acetate (CID 10512396) is [(Z)-2-phenylpent-3-enyl] acetate.
What is the SMILES notation for [(Z)-2-phenylpent-3-enyl] acetate?
The canonical SMILES for [(Z)-2-phenylpent-3-enyl] acetate is C/C=C\C(COC(C)=O)c1ccccc1.
What is the InChIKey of [(Z)-2-phenylpent-3-enyl] acetate?
The InChIKey is RNARISPNZVPEEJ-CLTKARDFSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-7-13(10-15-11(2)14)12-8-5-4-6-9-12/h3-9,13H,10H2,1-2H3/b7-3-.
What are the key properties of [(Z)-2-phenylpent-3-enyl] acetate?
[(Z)-2-phenylpent-3-enyl] acetate has a molecular weight of 204.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenylpent-3-enyl] acetate is sourced from PubChem (CID 10512396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).