3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

C15H24OS — CID 107449688

IUPAC3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(CCc2ccsc2)C1
InChIInChI=1S/C15H24OS/c1-12(2)14-4-3-7-15(16,10-14)8-5-13-6-9-17-11-13/h6,9,11-12,14,16H,3-5,7-8,10H2,1-2H3
InChIKeyBYHBTCAAAHEKFM-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.26
Rot. Bonds4

About 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (PubChem CID 107449688) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
PubChem CID107449688
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(CCc2ccsc2)C1
InChIInChI=1S/C15H24OS/c1-12(2)14-4-3-7-15(16,10-14)8-5-13-6-9-17-11-13/h6,9,11-12,14,16H,3-5,7-8,10H2,1-2H3
InChIKeyBYHBTCAAAHEKFM-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Thiophen-3-yl)hexan-1-ol
CID 13557546
3-Methyl-5-thiophen-3-ylpent-1-en-3-ol
CID 163815195
3-Methyl-5-(3-methylthiophen-2-yl)pent-1-en-3-ol
CID 164077366
2-(3-Thienyl)decanol
CID 129852963
(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol
CID 155931004
1-Thiophen-3-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 65100145
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153755
1-(2-Thiophen-3-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153860
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153919
1-(2-Thiophen-2-ylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65154025
3-Thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 105097838
1-(4,4-Difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol
CID 105097864

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The IUPAC name of 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (CID 107449688) is 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is CC(C)C1CCCC(O)(CCc2ccsc2)C1.
What is the InChIKey of 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The InChIKey is BYHBTCAAAHEKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-12(2)14-4-3-7-15(16,10-14)8-5-13-6-9-17-11-13/h6,9,11-12,14,16H,3-5,7-8,10H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol has a molecular weight of 252.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 107449688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).