1-cyclohexylsulfanyl-4-methoxybenzene

C13H18OS — CID 13011159

IUPAC1-cyclohexylsulfanyl-4-methoxybenzene
SMILESCOc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C13H18OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyPAGDATIJJABJDZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.12
Rot. Bonds3

About 1-cyclohexylsulfanyl-4-methoxybenzene

1-cyclohexylsulfanyl-4-methoxybenzene (PubChem CID 13011159) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-4-methoxybenzene
PubChem CID13011159
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-cyclohexylsulfanyl-4-methoxybenzene
SMILESCOc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C13H18OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyPAGDATIJJABJDZ-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-4-methoxybenzene?
The IUPAC name of 1-cyclohexylsulfanyl-4-methoxybenzene (CID 13011159) is 1-cyclohexylsulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-cyclohexylsulfanyl-4-methoxybenzene?
The canonical SMILES for 1-cyclohexylsulfanyl-4-methoxybenzene is COc1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexylsulfanyl-4-methoxybenzene?
The InChIKey is PAGDATIJJABJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-4-methoxybenzene?
1-cyclohexylsulfanyl-4-methoxybenzene has a molecular weight of 222.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-4-methoxybenzene is sourced from PubChem (CID 13011159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).