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

C11H15BrOS — CID 80700150

IUPAC1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2sccc2Br)C1
InChIInChI=1S/C11H15BrOS/c1-10(2)4-5-11(13,7-10)9-8(12)3-6-14-9/h3,6,13H,4-5,7H2,1-2H3
InChIKeyQTIZXSMFPNYXLC-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.91
Rot. Bonds1

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

1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 80700150) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
PubChem CID80700150
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2sccc2Br)C1
InChIInChI=1S/C11H15BrOS/c1-10(2)4-5-11(13,7-10)9-8(12)3-6-14-9/h3,6,13H,4-5,7H2,1-2H3
InChIKeyQTIZXSMFPNYXLC-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol (CID 80700150) is 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(c2sccc2Br)C1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is QTIZXSMFPNYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-10(2)4-5-11(13,7-10)9-8(12)3-6-14-9/h3,6,13H,4-5,7H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol?
1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 275.21 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80700150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).