4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol

C9H13ClOS — CID 82126271

IUPAC4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,11)6-5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyIZJIAMXVJZKRCY-UHFFFAOYSA-N
MW204.72 g/mol
LogP3.11
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol

4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol (PubChem CID 82126271) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
PubChem CID82126271
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,11)6-5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyIZJIAMXVJZKRCY-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-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 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol (CID 82126271) is 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol is CC(C)(O)CCc1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol?
The InChIKey is IZJIAMXVJZKRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-9(2,11)6-5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol?
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol has a molecular weight of 204.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 82126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).