4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol

C12H16OS — CID 165491706

IUPAC4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
SMILESCC1C=CC(O)(Cc2cccs2)CC1
InChIInChI=1S/C12H16OS/c1-10-4-6-12(13,7-5-10)9-11-3-2-8-14-11/h2-4,6,8,10,13H,5,7,9H2,1H3
InChIKeyAEFOXCFYVPSXDJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol

4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol (PubChem CID 165491706) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
PubChem CID165491706
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
SMILESCC1C=CC(O)(Cc2cccs2)CC1
InChIInChI=1S/C12H16OS/c1-10-4-6-12(13,7-5-10)9-11-3-2-8-14-11/h2-4,6,8,10,13H,5,7,9H2,1H3
InChIKeyAEFOXCFYVPSXDJ-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
2-propyl-1-(thiophen-2-ylmethyl)cyclopropan-1-ol
CID 79332130
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149211
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
CID 114536032
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol (CID 165491706) is 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol is CC1C=CC(O)(Cc2cccs2)CC1.
What is the InChIKey of 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The InChIKey is AEFOXCFYVPSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-10-4-6-12(13,7-5-10)9-11-3-2-8-14-11/h2-4,6,8,10,13H,5,7,9H2,1H3.
What are the key properties of 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol?
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165491706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).