1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone

C16H14OS — CID 101423870

IUPAC1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C16H14OS/c1-13(17)15-9-7-14(8-10-15)11-12-18-16-5-3-2-4-6-16/h2-12H,1H3/b12-11+
InChIKeyQPLCVIAXQULLRI-VAWYXSNFSA-N
MW254.35 g/mol
LogP4.65
Rot. Bonds4

About 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone

1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone (PubChem CID 101423870) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone
PubChem CID101423870
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C16H14OS/c1-13(17)15-9-7-14(8-10-15)11-12-18-16-5-3-2-4-6-16/h2-12H,1H3/b12-11+
InChIKeyQPLCVIAXQULLRI-VAWYXSNFSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone (CID 101423870) is 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/Sc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone?
The InChIKey is QPLCVIAXQULLRI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14OS/c1-13(17)15-9-7-14(8-10-15)11-12-18-16-5-3-2-4-6-16/h2-12H,1H3/b12-11+.
What are the key properties of 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone?
1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone is sourced from PubChem (CID 101423870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).