[(E)-3-phenylprop-1-enyl] acetate

C11H12O2 — CID 13396779

IUPAC[(E)-3-phenylprop-1-enyl] acetate
SMILESCC(=O)O/C=C/Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyPZVVUAIULJGRJE-WEVVVXLNSA-N
MW176.21 g/mol
LogP2.31
Rot. Bonds3

About [(E)-3-phenylprop-1-enyl] acetate

[(E)-3-phenylprop-1-enyl] acetate (PubChem CID 13396779) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(E)-3-phenylprop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-1-enyl] acetate
PubChem CID13396779
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[(E)-3-phenylprop-1-enyl] acetate
SMILESCC(=O)O/C=C/Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyPZVVUAIULJGRJE-WEVVVXLNSA-N
XLogP2.31
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 ≤ 52.31
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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Related Compounds

1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
CID 11346154
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174
2-(2-acetyloxyethenoxycarbonyl)benzoic acid
CID 174658388
[(E)-3-phenoxyprop-2-enyl]benzene
CID 11961333
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
ethenyl acetate;2-phenylacetic acid
CID 158502406
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
(Z)-4-phenylbut-2-enoyl chloride
CID 176872561
ethenoxymethylbenzene;ethenyl acetate
CID 70503458
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
triethyl(3-phenylprop-1-enoxy)silane
CID 612932

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-1-enyl] acetate?
The IUPAC name of [(E)-3-phenylprop-1-enyl] acetate (CID 13396779) is [(E)-3-phenylprop-1-enyl] acetate.
What is the SMILES notation for [(E)-3-phenylprop-1-enyl] acetate?
The canonical SMILES for [(E)-3-phenylprop-1-enyl] acetate is CC(=O)O/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-1-enyl] acetate?
The InChIKey is PZVVUAIULJGRJE-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+.
What are the key properties of [(E)-3-phenylprop-1-enyl] acetate?
[(E)-3-phenylprop-1-enyl] acetate has a molecular weight of 176.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-1-enyl] acetate is sourced from PubChem (CID 13396779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).