2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene

C26H20Cl2O2S — CID 141399604

IUPAC2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(Sc2ccc(OC)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2O2S/c1-29-21-11-13-25(23(15-21)17-3-7-19(27)8-4-17)31-26-14-12-22(30-2)16-24(26)18-5-9-20(28)10-6-18/h3-16H,1-2H3
InChIKeyYSCPDYAGXHBCQS-UHFFFAOYSA-N
MW467.42 g/mol
LogP8.50
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene

2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene (PubChem CID 141399604) has the molecular formula C26H20Cl2O2S and a molecular weight of 467.42 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
PubChem CID141399604
Molecular FormulaC26H20Cl2O2S
Molecular Weight467.42 g/mol
Exact Mass466.06
IUPAC Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(Sc2ccc(OC)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2O2S/c1-29-21-11-13-25(23(15-21)17-3-7-19(27)8-4-17)31-26-14-12-22(30-2)16-24(26)18-5-9-20(28)10-6-18/h3-16H,1-2H3
InChIKeyYSCPDYAGXHBCQS-UHFFFAOYSA-N
XLogP8.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(4-chlorophenyl)sulfanyl-3,5-bis(4-methoxyphenyl)thiophene
CID 54332062
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
CID 141399612

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene (CID 141399604) is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene is COc1ccc(Sc2ccc(OC)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene?
The InChIKey is YSCPDYAGXHBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O2S/c1-29-21-11-13-25(23(15-21)17-3-7-19(27)8-4-17)31-26-14-12-22(30-2)16-24(26)18-5-9-20(28)10-6-18/h3-16H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene?
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene has a molecular weight of 467.42 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene is sourced from PubChem (CID 141399604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).