4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol

C15H22OS — CID 117034461

IUPAC4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol
SMILESCc1cc(C)c(SC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C15H22OS/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h8-9,13-14,16H,4-7H2,1-3H3
InChIKeyOLBFLOOXONONSO-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.01
Rot. Bonds2

About 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol

4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol (PubChem CID 117034461) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol
PubChem CID117034461
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol
SMILESCc1cc(C)c(SC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C15H22OS/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h8-9,13-14,16H,4-7H2,1-3H3
InChIKeyOLBFLOOXONONSO-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol?
The IUPAC name of 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol (CID 117034461) is 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol is Cc1cc(C)c(SC2CCC(O)CC2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol?
The InChIKey is OLBFLOOXONONSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-10-8-11(2)15(12(3)9-10)17-14-6-4-13(16)5-7-14/h8-9,13-14,16H,4-7H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol?
4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol has a molecular weight of 250.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol is sourced from PubChem (CID 117034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).