1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene

C24H17ClO2S — CID 139804486

IUPAC1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
SMILESClc1ccc(Oc2ccc(Sc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H17ClO2S/c25-18-6-8-20(9-7-18)27-22-12-16-24(17-13-22)28-23-14-10-21(11-15-23)26-19-4-2-1-3-5-19/h1-17H
InChIKeyUJAZJFNSCQPPAA-UHFFFAOYSA-N
MW404.92 g/mol
LogP8.08
Rot. Bonds6

About 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene

1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene (PubChem CID 139804486) has the molecular formula C24H17ClO2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
PubChem CID139804486
Molecular FormulaC24H17ClO2S
Molecular Weight404.92 g/mol
Exact Mass404.06
IUPAC Name1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
SMILESClc1ccc(Oc2ccc(Sc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H17ClO2S/c25-18-6-8-20(9-7-18)27-22-12-16-24(17-13-22)28-23-14-10-21(11-15-23)26-19-4-2-1-3-5-19/h1-17H
InChIKeyUJAZJFNSCQPPAA-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
CID 175940509
chlorobenzene;phenoxybenzene
CID 66911253
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
S-[4-(4-chlorophenoxy)phenyl]thiohydroxylamine
CID 143260903
1-hydroxysulfanyl-4-phenoxybenzene
CID 140545785
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
2-(4-chlorophenyl)sulfanyl-3-(4-phenoxyphenyl)propanoic acid
CID 133241111
1-chloro-4-phenylsulfanyloxybenzene
CID 150643936
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
6-chloro-4-[4-(4-chlorophenoxy)phenyl]sulfanyl-1H-indole-2-carboxylic acid
CID 135358772

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene?
The IUPAC name of 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene (CID 139804486) is 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene is Clc1ccc(Oc2ccc(Sc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene?
The InChIKey is UJAZJFNSCQPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO2S/c25-18-6-8-20(9-7-18)27-22-12-16-24(17-13-22)28-23-14-10-21(11-15-23)26-19-4-2-1-3-5-19/h1-17H.
What are the key properties of 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene?
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene has a molecular weight of 404.92 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene is sourced from PubChem (CID 139804486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).