1-chloro-4-(3-methoxyphenyl)sulfanylbenzene

C13H11ClOS — CID 12026849

IUPAC1-chloro-4-(3-methoxyphenyl)sulfanylbenzene
SMILESCOc1cccc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClOS/c1-15-11-3-2-4-13(9-11)16-12-7-5-10(14)6-8-12/h2-9H,1H3
InChIKeyUZFXHCCEJLMTOS-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.50
Rot. Bonds3

About 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene

1-chloro-4-(3-methoxyphenyl)sulfanylbenzene (PubChem CID 12026849) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(3-methoxyphenyl)sulfanylbenzene
PubChem CID12026849
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name1-chloro-4-(3-methoxyphenyl)sulfanylbenzene
SMILESCOc1cccc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClOS/c1-15-11-3-2-4-13(9-11)16-12-7-5-10(14)6-8-12/h2-9H,1H3
InChIKeyUZFXHCCEJLMTOS-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene (CID 12026849) is 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene is COc1cccc(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene?
The InChIKey is UZFXHCCEJLMTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-15-11-3-2-4-13(9-11)16-12-7-5-10(14)6-8-12/h2-9H,1H3.
What are the key properties of 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene?
1-chloro-4-(3-methoxyphenyl)sulfanylbenzene has a molecular weight of 250.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 12026849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).