1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol

C11H15BrOS — CID 79595929

IUPAC1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2cscc2Br)C1
InChIInChI=1S/C11H15BrOS/c1-2-8-3-4-11(13,5-8)9-6-14-7-10(9)12/h6-8,13H,2-5H2,1H3
InChIKeyOASZBGMLMLQKNE-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.91
Rot. Bonds2

About 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol

1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol (PubChem CID 79595929) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol
PubChem CID79595929
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2cscc2Br)C1
InChIInChI=1S/C11H15BrOS/c1-2-8-3-4-11(13,5-8)9-6-14-7-10(9)12/h6-8,13H,2-5H2,1H3
InChIKeyOASZBGMLMLQKNE-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol (CID 79595929) is 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol is CCC1CCC(O)(c2cscc2Br)C1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol?
The InChIKey is OASZBGMLMLQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-2-8-3-4-11(13,5-8)9-6-14-7-10(9)12/h6-8,13H,2-5H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol?
1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol has a molecular weight of 275.21 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 79595929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).