1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene

C14H13FOS — CID 102471547

IUPAC1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene
SMILESCOc1ccc(Sc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C14H13FOS/c1-10-9-12(16-2)5-8-14(10)17-13-6-3-11(15)4-7-13/h3-9H,1-2H3
InChIKeyCWDXKVHVKQMYDL-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene

1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene (PubChem CID 102471547) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene
PubChem CID102471547
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene
SMILESCOc1ccc(Sc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C14H13FOS/c1-10-9-12(16-2)5-8-14(10)17-13-6-3-11(15)4-7-13/h3-9H,1-2H3
InChIKeyCWDXKVHVKQMYDL-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene (CID 102471547) is 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene is COc1ccc(Sc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene?
The InChIKey is CWDXKVHVKQMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10-9-12(16-2)5-8-14(10)17-13-6-3-11(15)4-7-13/h3-9H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene?
1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene has a molecular weight of 248.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-methoxy-2-methylbenzene is sourced from PubChem (CID 102471547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).