3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol

C10H13BrOS — CID 116540088

IUPAC3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
SMILESCC1(c2sccc2Br)CCC(O)C1
InChIInChI=1S/C10H13BrOS/c1-10(4-2-7(12)6-10)9-8(11)3-5-13-9/h3,5,7,12H,2,4,6H2,1H3
InChIKeyMQFPFZCVPZUNJT-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.31
Rot. Bonds1

About 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol

3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol (PubChem CID 116540088) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
PubChem CID116540088
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
SMILESCC1(c2sccc2Br)CCC(O)C1
InChIInChI=1S/C10H13BrOS/c1-10(4-2-7(12)6-10)9-8(11)3-5-13-9/h3,5,7,12H,2,4,6H2,1H3
InChIKeyMQFPFZCVPZUNJT-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-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 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol (CID 116540088) is 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol is CC1(c2sccc2Br)CCC(O)C1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol?
The InChIKey is MQFPFZCVPZUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-10(4-2-7(12)6-10)9-8(11)3-5-13-9/h3,5,7,12H,2,4,6H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol?
3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116540088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).