[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate

C13H16O3 — CID 15261942

IUPAC[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
SMILESC/C=C\C(OC(=O)COC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-7-12(16-13(14)10-15-2)11-8-5-4-6-9-11/h3-9,12H,10H2,1-2H3/b7-3-
InChIKeyGOWAEMRSFGZORT-CLTKARDFSA-N
MW220.27 g/mol
LogP2.49
Rot. Bonds5

About [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate

[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate (PubChem CID 15261942) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate.

Molecular Properties

Compound Name[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
PubChem CID15261942
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
SMILESC/C=C\C(OC(=O)COC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-7-12(16-13(14)10-15-2)11-8-5-4-6-9-11/h3-9,12H,10H2,1-2H3/b7-3-
InChIKeyGOWAEMRSFGZORT-CLTKARDFSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate?
The IUPAC name of [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate (CID 15261942) is [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate.
What is the SMILES notation for [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate?
The canonical SMILES for [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate is C/C=C\C(OC(=O)COC)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate?
The InChIKey is GOWAEMRSFGZORT-CLTKARDFSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-7-12(16-13(14)10-15-2)11-8-5-4-6-9-11/h3-9,12H,10H2,1-2H3/b7-3-.
What are the key properties of [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate?
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate has a molecular weight of 220.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylbut-2-enyl] 2-methoxyacetate is sourced from PubChem (CID 15261942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).