[(Z)-2-phenylprop-1-enyl] acetate

C11H12O2 — CID 3036969

IUPAC[(Z)-2-phenylprop-1-enyl] acetate
SMILESCC(=O)O/C=C(/C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-
InChIKeyCLCGEEANBAUENX-HJWRWDBZSA-N
MW176.21 g/mol
LogP2.61
Rot. Bonds2

About [(Z)-2-phenylprop-1-enyl] acetate

[(Z)-2-phenylprop-1-enyl] acetate (PubChem CID 3036969) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(Z)-2-phenylprop-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-phenylprop-1-enyl] acetate
PubChem CID3036969
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[(Z)-2-phenylprop-1-enyl] acetate
SMILESCC(=O)O/C=C(/C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-
InChIKeyCLCGEEANBAUENX-HJWRWDBZSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-phenylprop-1-enyl] acetate?
The IUPAC name of [(Z)-2-phenylprop-1-enyl] acetate (CID 3036969) is [(Z)-2-phenylprop-1-enyl] acetate.
What is the SMILES notation for [(Z)-2-phenylprop-1-enyl] acetate?
The canonical SMILES for [(Z)-2-phenylprop-1-enyl] acetate is CC(=O)O/C=C(/C)c1ccccc1.
What is the InChIKey of [(Z)-2-phenylprop-1-enyl] acetate?
The InChIKey is CLCGEEANBAUENX-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-.
What are the key properties of [(Z)-2-phenylprop-1-enyl] acetate?
[(Z)-2-phenylprop-1-enyl] acetate has a molecular weight of 176.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenylprop-1-enyl] acetate is sourced from PubChem (CID 3036969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).