(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one

C15H12OS — CID 101356551

IUPAC(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(S)c1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(17)11-12/h1-11,17H/b10-9+
InChIKeyAKUMPCIGCZXCSG-MDZDMXLPSA-N
MW240.33 g/mol
LogP3.87
Rot. Bonds3

About (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one

(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one (PubChem CID 101356551) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one
PubChem CID101356551
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(S)c1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(17)11-12/h1-11,17H/b10-9+
InChIKeyAKUMPCIGCZXCSG-MDZDMXLPSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
3-[(Z)-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 54607419
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one (CID 101356551) is (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one is O=C(/C=C/c1cccc(S)c1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one?
The InChIKey is AKUMPCIGCZXCSG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12OS/c16-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(17)11-12/h1-11,17H/b10-9+.
What are the key properties of (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one?
(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one has a molecular weight of 240.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one is sourced from PubChem (CID 101356551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).