(3-cyclohexylsulfanylphenyl)methanol

C13H18OS — CID 66348157

IUPAC(3-cyclohexylsulfanylphenyl)methanol
SMILESOCc1cccc(SC2CCCCC2)c1
InChIInChI=1S/C13H18OS/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2
InChIKeyYGNYMKFHFKVFIL-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.60
Rot. Bonds3

About (3-cyclohexylsulfanylphenyl)methanol

(3-cyclohexylsulfanylphenyl)methanol (PubChem CID 66348157) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (3-cyclohexylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclohexylsulfanylphenyl)methanol
PubChem CID66348157
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(3-cyclohexylsulfanylphenyl)methanol
SMILESOCc1cccc(SC2CCCCC2)c1
InChIInChI=1S/C13H18OS/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2
InChIKeyYGNYMKFHFKVFIL-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfanylphenyl)methanol?
The IUPAC name of (3-cyclohexylsulfanylphenyl)methanol (CID 66348157) is (3-cyclohexylsulfanylphenyl)methanol.
What is the SMILES notation for (3-cyclohexylsulfanylphenyl)methanol?
The canonical SMILES for (3-cyclohexylsulfanylphenyl)methanol is OCc1cccc(SC2CCCCC2)c1.
What is the InChIKey of (3-cyclohexylsulfanylphenyl)methanol?
The InChIKey is YGNYMKFHFKVFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2.
What are the key properties of (3-cyclohexylsulfanylphenyl)methanol?
(3-cyclohexylsulfanylphenyl)methanol has a molecular weight of 222.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfanylphenyl)methanol is sourced from PubChem (CID 66348157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).