2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol

C13H20OS — CID 65154121

IUPAC2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cccs2)C(C)C1
InChIInChI=1S/C13H20OS/c1-10-5-6-13(14,11(2)8-10)9-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyWUGDEFTYMYPNQI-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.48
Rot. Bonds2

About 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol

2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol (PubChem CID 65154121) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
PubChem CID65154121
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cccs2)C(C)C1
InChIInChI=1S/C13H20OS/c1-10-5-6-13(14,11(2)8-10)9-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyWUGDEFTYMYPNQI-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
2-propyl-1-(thiophen-2-ylmethyl)cyclopropan-1-ol
CID 79332130
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-methyl-2-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 81020795
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol (CID 65154121) is 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol is CC1CCC(O)(Cc2cccs2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is WUGDEFTYMYPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-10-5-6-13(14,11(2)8-10)9-12-4-3-7-15-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol?
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65154121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).