[(E)-1,3-diphenylprop-2-enyl] acetate

C17H16O2 — CID 6329567

IUPAC[(E)-1,3-diphenylprop-2-enyl] acetate
SMILESCC(=O)OC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+
InChIKeyUVJZGFKZGQSKDV-OUKQBFOZSA-N
MW252.31 g/mol
LogP4.00
Rot. Bonds4

About [(E)-1,3-diphenylprop-2-enyl] acetate

[(E)-1,3-diphenylprop-2-enyl] acetate (PubChem CID 6329567) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(E)-1,3-diphenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1,3-diphenylprop-2-enyl] acetate
PubChem CID6329567
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(E)-1,3-diphenylprop-2-enyl] acetate
SMILESCC(=O)OC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+
InChIKeyUVJZGFKZGQSKDV-OUKQBFOZSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,3-diphenylprop-2-enyl] acetate?
The IUPAC name of [(E)-1,3-diphenylprop-2-enyl] acetate (CID 6329567) is [(E)-1,3-diphenylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-1,3-diphenylprop-2-enyl] acetate?
The canonical SMILES for [(E)-1,3-diphenylprop-2-enyl] acetate is CC(=O)OC(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,3-diphenylprop-2-enyl] acetate?
The InChIKey is UVJZGFKZGQSKDV-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+.
What are the key properties of [(E)-1,3-diphenylprop-2-enyl] acetate?
[(E)-1,3-diphenylprop-2-enyl] acetate has a molecular weight of 252.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3-diphenylprop-2-enyl] acetate is sourced from PubChem (CID 6329567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).