1,3-dimethoxy-5-phenylsulfanylbenzene

C14H14O2S — CID 122365183

IUPAC1,3-dimethoxy-5-phenylsulfanylbenzene
SMILESCOc1cc(OC)cc(Sc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-15-11-8-12(16-2)10-14(9-11)17-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVHHPLCICWBBYFU-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.86
Rot. Bonds4

About 1,3-dimethoxy-5-phenylsulfanylbenzene

1,3-dimethoxy-5-phenylsulfanylbenzene (PubChem CID 122365183) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1,3-dimethoxy-5-phenylsulfanylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-phenylsulfanylbenzene
PubChem CID122365183
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1,3-dimethoxy-5-phenylsulfanylbenzene
SMILESCOc1cc(OC)cc(Sc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-15-11-8-12(16-2)10-14(9-11)17-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVHHPLCICWBBYFU-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-phenylsulfanylbenzene?
The IUPAC name of 1,3-dimethoxy-5-phenylsulfanylbenzene (CID 122365183) is 1,3-dimethoxy-5-phenylsulfanylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-phenylsulfanylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-phenylsulfanylbenzene is COc1cc(OC)cc(Sc2ccccc2)c1.
What is the InChIKey of 1,3-dimethoxy-5-phenylsulfanylbenzene?
The InChIKey is VHHPLCICWBBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-15-11-8-12(16-2)10-14(9-11)17-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 1,3-dimethoxy-5-phenylsulfanylbenzene?
1,3-dimethoxy-5-phenylsulfanylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-phenylsulfanylbenzene is sourced from PubChem (CID 122365183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).