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

C17H16O2S — CID 11208375

IUPAC[(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2S/c18-17(14-20-16-11-5-2-6-12-16)19-13-7-10-15-8-3-1-4-9-15/h1-12H,13-14H2/b10-7+
InChIKeyRXGQIASEHZTGML-JXMROGBWSA-N
MW284.38 g/mol
LogP4.04
Rot. Bonds6

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

[(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate (PubChem CID 11208375) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate
PubChem CID11208375
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate
SMILESO=C(CSc1ccccc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16O2S/c18-17(14-20-16-11-5-2-6-12-16)19-13-7-10-15-8-3-1-4-9-15/h1-12H,13-14H2/b10-7+
InChIKeyRXGQIASEHZTGML-JXMROGBWSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate (CID 11208375) is [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate is O=C(CSc1ccccc1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate?
The InChIKey is RXGQIASEHZTGML-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16O2S/c18-17(14-20-16-11-5-2-6-12-16)19-13-7-10-15-8-3-1-4-9-15/h1-12H,13-14H2/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate?
[(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate has a molecular weight of 284.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-phenylsulfanylacetate is sourced from PubChem (CID 11208375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).