1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene

C20H14Cl2S — CID 56956432

IUPAC1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
SMILESClc1ccc(/C=C(/Sc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H14Cl2S/c21-17-8-6-15(7-9-17)14-20(16-4-2-1-3-5-16)23-19-12-10-18(22)11-13-19/h1-14H/b20-14+
InChIKeyLOCZKHJQIKMOKT-XSFVSMFZSA-N
MW357.31 g/mol
LogP7.28
Rot. Bonds4

About 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene

1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene (PubChem CID 56956432) has the molecular formula C20H14Cl2S and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
PubChem CID56956432
Molecular FormulaC20H14Cl2S
Molecular Weight357.31 g/mol
Exact Mass356.02
IUPAC Name1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
SMILESClc1ccc(/C=C(/Sc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H14Cl2S/c21-17-8-6-15(7-9-17)14-20(16-4-2-1-3-5-16)23-19-12-10-18(22)11-13-19/h1-14H/b20-14+
InChIKeyLOCZKHJQIKMOKT-XSFVSMFZSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.31
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)sulfanyl-1,3-diphenylprop-2-en-1-one
CID 71416462
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
S-phenyl (E)-3-(4-chlorophenyl)prop-2-enethioate
CID 10039042
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 139262827
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
CID 5367104
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
CID 139835702
2-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid
CID 54006809
2-bromo-3-(4-chlorophenyl)prop-2-enoic acid
CID 4737526
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene (CID 56956432) is 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene is Clc1ccc(/C=C(/Sc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene?
The InChIKey is LOCZKHJQIKMOKT-XSFVSMFZSA-N. The full InChI is InChI=1S/C20H14Cl2S/c21-17-8-6-15(7-9-17)14-20(16-4-2-1-3-5-16)23-19-12-10-18(22)11-13-19/h1-14H/b20-14+.
What are the key properties of 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene?
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene has a molecular weight of 357.31 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 56956432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).