4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol

C15H22O2S — CID 117034473

IUPAC4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
SMILESCOc1cc(C)c(SC2CCC(O)CC2)cc1C
InChIInChI=1S/C15H22O2S/c1-10-9-15(11(2)8-14(10)17-3)18-13-6-4-12(16)5-7-13/h8-9,12-13,16H,4-7H2,1-3H3
InChIKeyFZBBBYMQAAMWRJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol

4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol (PubChem CID 117034473) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
PubChem CID117034473
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
SMILESCOc1cc(C)c(SC2CCC(O)CC2)cc1C
InChIInChI=1S/C15H22O2S/c1-10-9-15(11(2)8-14(10)17-3)18-13-6-4-12(16)5-7-13/h8-9,12-13,16H,4-7H2,1-3H3
InChIKeyFZBBBYMQAAMWRJ-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
CID 117032983
2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
CID 117034189
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-(2-methoxy-N,4,6-trimethylanilino)cyclohexan-1-ol
CID 115149449
4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 117033246
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol (CID 117034473) is 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol is COc1cc(C)c(SC2CCC(O)CC2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol?
The InChIKey is FZBBBYMQAAMWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-10-9-15(11(2)8-14(10)17-3)18-13-6-4-12(16)5-7-13/h8-9,12-13,16H,4-7H2,1-3H3.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol?
4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol has a molecular weight of 266.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol is sourced from PubChem (CID 117034473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).