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

C18H18O2 — CID 5368395

IUPAC[(E)-3-phenylprop-2-enyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+
InChIKeySYPODLJMXGVBQI-KPKJPENVSA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds6

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

[(E)-3-phenylprop-2-enyl] 3-phenylpropanoate (PubChem CID 5368395) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 3-phenylpropanoate
PubChem CID5368395
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[(E)-3-phenylprop-2-enyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+
InChIKeySYPODLJMXGVBQI-KPKJPENVSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
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] 3-phenylpropanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate (CID 5368395) is [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate is O=C(CCc1ccccc1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate?
The InChIKey is SYPODLJMXGVBQI-KPKJPENVSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 3-phenylpropanoate?
[(E)-3-phenylprop-2-enyl] 3-phenylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 3.88, 6 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] 3-phenylpropanoate is sourced from PubChem (CID 5368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).