4-ethyl-1-thiophen-3-ylcycloheptan-1-ol

C13H20OS — CID 65099566

IUPAC4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccsc2)CC1
InChIInChI=1S/C13H20OS/c1-2-11-4-3-7-13(14,8-5-11)12-6-9-15-10-12/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyLMAYTAXUKIOGDW-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.93
Rot. Bonds2

About 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol

4-ethyl-1-thiophen-3-ylcycloheptan-1-ol (PubChem CID 65099566) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
PubChem CID65099566
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccsc2)CC1
InChIInChI=1S/C13H20OS/c1-2-11-4-3-7-13(14,8-5-11)12-6-9-15-10-12/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyLMAYTAXUKIOGDW-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1-thiophen-3-ylcyclooctan-1-ol
CID 66987938
4,4-dimethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099568
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
CID 65085535
4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
4-propyl-1-thiophen-3-ylcycloheptan-1-amine
CID 65100099
4-phenyl-1-thiophen-3-ylcyclohexan-1-ol
CID 65099659
4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 65086189
1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol
CID 65085735
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621420
1-propan-2-yl-4-thiophen-3-ylazepan-4-ol
CID 65099457

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol (CID 65099566) is 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol is CCC1CCCC(O)(c2ccsc2)CC1.
What is the InChIKey of 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol?
The InChIKey is LMAYTAXUKIOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-2-11-4-3-7-13(14,8-5-11)12-6-9-15-10-12/h6,9-11,14H,2-5,7-8H2,1H3.
What are the key properties of 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol?
4-ethyl-1-thiophen-3-ylcycloheptan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-thiophen-3-ylcycloheptan-1-ol is sourced from PubChem (CID 65099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).