2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol

C11H15BrOS — CID 130640043

IUPAC2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)c1cscc1Br
InChIInChI=1S/C11H15BrOS/c1-10(4-3-5-11(10,2)13)8-6-14-7-9(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyQPMPMFNDKLVGPK-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.70
Rot. Bonds1

About 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol

2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130640043) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol
PubChem CID130640043
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)c1cscc1Br
InChIInChI=1S/C11H15BrOS/c1-10(4-3-5-11(10,2)13)8-6-14-7-9(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyQPMPMFNDKLVGPK-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol (CID 130640043) is 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol is CC1(O)CCCC1(C)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is QPMPMFNDKLVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-10(4-3-5-11(10,2)13)8-6-14-7-9(8)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol?
2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 275.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130640043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).