1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol

C11H18OS — CID 61088727

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)CC(C)C)c(C)s1
InChIInChI=1S/C11H18OS/c1-7(2)5-11(12)10-6-8(3)13-9(10)4/h6-7,11-12H,5H2,1-4H3
InChIKeyIVOBEOFGZZZNNM-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.44
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol

1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol (PubChem CID 61088727) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
PubChem CID61088727
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)CC(C)C)c(C)s1
InChIInChI=1S/C11H18OS/c1-7(2)5-11(12)10-6-8(3)13-9(10)4/h6-7,11-12H,5H2,1-4H3
InChIKeyIVOBEOFGZZZNNM-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-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-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol (CID 61088727) is 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol is Cc1cc(C(O)CC(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol?
The InChIKey is IVOBEOFGZZZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-7(2)5-11(12)10-6-8(3)13-9(10)4/h6-7,11-12H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol?
1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 61088727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).