(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one

C18H14Cl2O2S — CID 66992774

IUPAC(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)CS(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2O2S/c19-16-6-1-14(2-7-16)5-10-18(21)13-23(22)12-11-15-3-8-17(20)9-4-15/h1-12H,13H2/b10-5+,12-11?
InChIKeyZKDKHZOUEOWULG-MBDWYYTESA-N
MW365.28 g/mol
LogP5.00
Rot. Bonds6

About (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one

(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one (PubChem CID 66992774) has the molecular formula C18H14Cl2O2S and a molecular weight of 365.28 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one
PubChem CID66992774
Molecular FormulaC18H14Cl2O2S
Molecular Weight365.28 g/mol
Exact Mass364.01
IUPAC Name(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)CS(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2O2S/c19-16-6-1-14(2-7-16)5-10-18(21)13-23(22)12-11-15-3-8-17(20)9-4-15/h1-12H,13H2/b10-5+,12-11?
InChIKeyZKDKHZOUEOWULG-MBDWYYTESA-N
XLogP5.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 55.00
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

4-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenylsulfinyl]but-3-en-2-one
CID 66992682
(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-one
CID 176797692
4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]-1-iodobut-3-en-2-one
CID 173174303
(E)-2-(4-chlorophenyl)ethenesulfinyl chloride
CID 22721884
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
CID 59090945
CID 59090945
1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
CID 66810700
zinc bis(3-(4-chlorophenyl)prop-2-enoate)
CID 158446938
(E,5S)-1,5-bis(4-chlorophenyl)hept-1-en-3-one
CID 23629422

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one?
The IUPAC name of (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one (CID 66992774) is (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one?
The canonical SMILES for (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one is O=C(/C=C/c1ccc(Cl)cc1)CS(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one?
The InChIKey is ZKDKHZOUEOWULG-MBDWYYTESA-N. The full InChI is InChI=1S/C18H14Cl2O2S/c19-16-6-1-14(2-7-16)5-10-18(21)13-23(22)12-11-15-3-8-17(20)9-4-15/h1-12H,13H2/b10-5+,12-11?.
What are the key properties of (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one?
(E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one has a molecular weight of 365.28 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethenylsulfinyl]but-3-en-2-one is sourced from PubChem (CID 66992774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).