(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one

C15H11ClOS — CID 5367104

IUPAC(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClOS/c16-13-6-8-14(9-7-13)18-11-10-15(17)12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyFDDBYOCZLOQIKX-ZHACJKMWSA-N
MW274.77 g/mol
LogP4.83
Rot. Bonds4

About (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one

(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one (PubChem CID 5367104) has the molecular formula C15H11ClOS and a molecular weight of 274.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
PubChem CID5367104
Molecular FormulaC15H11ClOS
Molecular Weight274.77 g/mol
Exact Mass274.02
IUPAC Name(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClOS/c16-13-6-8-14(9-7-13)18-11-10-15(17)12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyFDDBYOCZLOQIKX-ZHACJKMWSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.83
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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Related Compounds

(E)-3-(4-chlorophenyl)sulfanyl-1-(4-iodophenyl)prop-2-en-1-one
CID 5379747
(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 5378306
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 625657
3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 565647
1-(3-bromophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one
CID 554741
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-3-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175599105
(E)-3-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 6181983
(E)-3-(3-chloro-4-fluorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 6158591
3-(4-chlorophenyl)sulfanyl-1,3-diphenylprop-2-en-1-one
CID 71416462
1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 71412264
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one (CID 5367104) is (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one is O=C(/C=C/Sc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one?
The InChIKey is FDDBYOCZLOQIKX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11ClOS/c16-13-6-8-14(9-7-13)18-11-10-15(17)12-4-2-1-3-5-12/h1-11H/b11-10+.
What are the key properties of (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one?
(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one has a molecular weight of 274.77 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5367104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).