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

C10H16OS — CID 145366912

IUPAC1-(2,5-dimethylthiophen-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyLHIHRDZQZSPMRJ-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.68
Rot. Bonds3

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

1-(2,5-dimethylthiophen-3-yl)butan-2-ol (PubChem CID 145366912) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)butan-2-ol
PubChem CID145366912
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyLHIHRDZQZSPMRJ-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylthiophen-3-yl)butan-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 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol (CID 145366912) is 1-(2,5-dimethylthiophen-3-yl)butan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)butan-2-ol is CCC(O)Cc1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The InChIKey is LHIHRDZQZSPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
1-(2,5-dimethylthiophen-3-yl)butan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.68, 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)butan-2-ol is sourced from PubChem (CID 145366912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).