3-ethyl-1-thiophen-2-ylpentane-1,2-diol

C11H18O2S — CID 103459851

IUPAC3-ethyl-1-thiophen-2-ylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1cccs1
InChIInChI=1S/C11H18O2S/c1-3-8(4-2)10(12)11(13)9-6-5-7-14-9/h5-8,10-13H,3-4H2,1-2H3
InChIKeyMPUORQIQYAHJDD-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.58
Rot. Bonds5

About 3-ethyl-1-thiophen-2-ylpentane-1,2-diol

3-ethyl-1-thiophen-2-ylpentane-1,2-diol (PubChem CID 103459851) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-ethyl-1-thiophen-2-ylpentane-1,2-diol.

Molecular Properties

Compound Name3-ethyl-1-thiophen-2-ylpentane-1,2-diol
PubChem CID103459851
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-ethyl-1-thiophen-2-ylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1cccs1
InChIInChI=1S/C11H18O2S/c1-3-8(4-2)10(12)11(13)9-6-5-7-14-9/h5-8,10-13H,3-4H2,1-2H3
InChIKeyMPUORQIQYAHJDD-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-thiophen-2-ylpentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
2-[(1R)-1-iodopropyl]thiophene
CID 142234064

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-thiophen-2-ylpentane-1,2-diol?
The IUPAC name of 3-ethyl-1-thiophen-2-ylpentane-1,2-diol (CID 103459851) is 3-ethyl-1-thiophen-2-ylpentane-1,2-diol.
What is the SMILES notation for 3-ethyl-1-thiophen-2-ylpentane-1,2-diol?
The canonical SMILES for 3-ethyl-1-thiophen-2-ylpentane-1,2-diol is CCC(CC)C(O)C(O)c1cccs1.
What is the InChIKey of 3-ethyl-1-thiophen-2-ylpentane-1,2-diol?
The InChIKey is MPUORQIQYAHJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-3-8(4-2)10(12)11(13)9-6-5-7-14-9/h5-8,10-13H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-1-thiophen-2-ylpentane-1,2-diol?
3-ethyl-1-thiophen-2-ylpentane-1,2-diol has a molecular weight of 214.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-thiophen-2-ylpentane-1,2-diol is sourced from PubChem (CID 103459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).