(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one

C17H16OS — CID 12842168

IUPAC(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-12H,13-14H2/b12-11+
InChIKeyUAVJQPMCNKFTSX-VAWYXSNFSA-N
MW268.38 g/mol
LogP4.45
Rot. Bonds6

About (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one

(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one (PubChem CID 12842168) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one
PubChem CID12842168
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-12H,13-14H2/b12-11+
InChIKeyUAVJQPMCNKFTSX-VAWYXSNFSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one?
The IUPAC name of (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one (CID 12842168) is (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one.
What is the SMILES notation for (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one?
The canonical SMILES for (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one is O=C(/C=C/c1ccccc1)CCSc1ccccc1.
What is the InChIKey of (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one?
The InChIKey is UAVJQPMCNKFTSX-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16OS/c18-16(12-11-15-7-3-1-4-8-15)13-14-19-17-9-5-2-6-10-17/h1-12H,13-14H2/b12-11+.
What are the key properties of (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one?
(E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one has a molecular weight of 268.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-5-phenylsulfanylpent-1-en-3-one is sourced from PubChem (CID 12842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).