1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol

C13H20O2S — CID 103452194

IUPAC1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
SMILESOC(Cc1ccsc1)C1(O)CCCCCC1
InChIInChI=1S/C13H20O2S/c14-12(9-11-5-8-16-10-11)13(15)6-3-1-2-4-7-13/h5,8,10,12,14-15H,1-4,6-7,9H2
InChIKeyJTLPIGVURFPLPS-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol

1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol (PubChem CID 103452194) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
PubChem CID103452194
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
SMILESOC(Cc1ccsc1)C1(O)CCCCCC1
InChIInChI=1S/C13H20O2S/c14-12(9-11-5-8-16-10-11)13(15)6-3-1-2-4-7-13/h5,8,10,12,14-15H,1-4,6-7,9H2
InChIKeyJTLPIGVURFPLPS-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
[1-(1-methylcyclohexyl)-2-thiophen-3-ylethyl]hydrazine
CID 106831167
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 79057210
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
1-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol?
The IUPAC name of 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol (CID 103452194) is 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol?
The canonical SMILES for 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol is OC(Cc1ccsc1)C1(O)CCCCCC1.
What is the InChIKey of 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol?
The InChIKey is JTLPIGVURFPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c14-12(9-11-5-8-16-10-11)13(15)6-3-1-2-4-7-13/h5,8,10,12,14-15H,1-4,6-7,9H2.
What are the key properties of 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol?
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol is sourced from PubChem (CID 103452194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).