2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene

C14H13ClO2S — CID 132568881

IUPAC2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1Sc1cccc(Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,1-2H3
InChIKeyDBXFMDXXVQDXEI-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.51
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene

2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene (PubChem CID 132568881) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
PubChem CID132568881
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1Sc1cccc(Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,1-2H3
InChIKeyDBXFMDXXVQDXEI-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene (CID 132568881) is 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene is COc1cccc(OC)c1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene?
The InChIKey is DBXFMDXXVQDXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene?
2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene has a molecular weight of 280.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene is sourced from PubChem (CID 132568881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).