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

C17H16O2 — CID 5370599

IUPAC[(E)-3-phenylprop-2-enyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7+
InChIKeySFXQCOMMEMBETJ-KPKJPENVSA-N
MW252.31 g/mol
LogP3.49
Rot. Bonds5

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

[(E)-3-phenylprop-2-enyl] 2-phenylacetate (PubChem CID 5370599) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-phenylacetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-phenylacetate
PubChem CID5370599
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7+
InChIKeySFXQCOMMEMBETJ-KPKJPENVSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.49
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] 2-phenylacetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-phenylacetate (CID 5370599) is [(E)-3-phenylprop-2-enyl] 2-phenylacetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-phenylacetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-phenylacetate is O=C(Cc1ccccc1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-phenylacetate?
The InChIKey is SFXQCOMMEMBETJ-KPKJPENVSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-phenylacetate?
[(E)-3-phenylprop-2-enyl] 2-phenylacetate has a molecular weight of 252.31 g/mol, XLogP of 3.49, 5 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] 2-phenylacetate is sourced from PubChem (CID 5370599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).