[(E)-3-phenylprop-2-enyl] acetate

C11H12O2 — CID 5282110

IUPAC[(E)-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
InChIKeyWJSDHUCWMSHDCR-VMPITWQZSA-N
MW176.21 g/mol
LogP2.26
Rot. Bonds3

About [(E)-3-phenylprop-2-enyl] acetate

[(E)-3-phenylprop-2-enyl] acetate (PubChem CID 5282110) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] acetate
PubChem CID5282110
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[(E)-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
InChIKeyWJSDHUCWMSHDCR-VMPITWQZSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] acetate (CID 5282110) is [(E)-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] acetate is CC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] acetate?
The InChIKey is WJSDHUCWMSHDCR-VMPITWQZSA-N. The full InChI is InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+.
What are the key properties of [(E)-3-phenylprop-2-enyl] acetate?
[(E)-3-phenylprop-2-enyl] acetate has a molecular weight of 176.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 5282110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).