1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene

C18H13ClOS — CID 175940509

IUPAC1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
SMILESClc1ccc(Sc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClOS/c19-14-10-12-16(13-11-14)21-18-9-5-4-8-17(18)20-15-6-2-1-3-7-15/h1-13H
InChIKeyWBSHEZVESDYBQZ-UHFFFAOYSA-N
MW312.82 g/mol
LogP6.28
Rot. Bonds4

About 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene

1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene (PubChem CID 175940509) has the molecular formula C18H13ClOS and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
PubChem CID175940509
Molecular FormulaC18H13ClOS
Molecular Weight312.82 g/mol
Exact Mass312.04
IUPAC Name1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
SMILESClc1ccc(Sc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClOS/c19-14-10-12-16(13-11-14)21-18-9-5-4-8-17(18)20-15-6-2-1-3-7-15/h1-13H
InChIKeyWBSHEZVESDYBQZ-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.82
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene (CID 175940509) is 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene is Clc1ccc(Sc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene?
The InChIKey is WBSHEZVESDYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClOS/c19-14-10-12-16(13-11-14)21-18-9-5-4-8-17(18)20-15-6-2-1-3-7-15/h1-13H.
What are the key properties of 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene?
1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene has a molecular weight of 312.82 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 175940509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).