(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one

C15H12OS — CID 870755

IUPAC(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one
SMILESO=C(/C=C/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyYHNYIPDEVMPDFI-VAWYXSNFSA-N
MW240.33 g/mol
LogP4.18
Rot. Bonds4

About (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one

(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one (PubChem CID 870755) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one
PubChem CID870755
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one
SMILESO=C(/C=C/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyYHNYIPDEVMPDFI-VAWYXSNFSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one (CID 870755) is (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one is O=C(/C=C/Sc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one?
The InChIKey is YHNYIPDEVMPDFI-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H12OS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-12H/b12-11+.
What are the key properties of (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one?
(E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one has a molecular weight of 240.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-phenylsulfanylprop-2-en-1-one is sourced from PubChem (CID 870755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).