3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol

C12H20O2S — CID 103459822

IUPAC3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1csc(C)c1
InChIInChI=1S/C12H20O2S/c1-4-9(5-2)11(13)12(14)10-6-8(3)15-7-10/h6-7,9,11-14H,4-5H2,1-3H3
InChIKeyAAGOLDJARBQASJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.89
Rot. Bonds5

About 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol

3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol (PubChem CID 103459822) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol.

Molecular Properties

Compound Name3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
PubChem CID103459822
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1csc(C)c1
InChIInChI=1S/C12H20O2S/c1-4-9(5-2)11(13)12(14)10-6-8(3)15-7-10/h6-7,9,11-14H,4-5H2,1-3H3
InChIKeyAAGOLDJARBQASJ-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
1-cyclopropyl-2-(5-methylthiophen-3-yl)ethane-1,2-diol
CID 103456956
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
CID 116711503
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
CID 130639383
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
CID 103459693
methyl 2-(5-methylthiophen-3-yl)butanoate
CID 65099260
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol?
The IUPAC name of 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol (CID 103459822) is 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol.
What is the SMILES notation for 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol?
The canonical SMILES for 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol is CCC(CC)C(O)C(O)c1csc(C)c1.
What is the InChIKey of 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol?
The InChIKey is AAGOLDJARBQASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-4-9(5-2)11(13)12(14)10-6-8(3)15-7-10/h6-7,9,11-14H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol?
3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol has a molecular weight of 228.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol is sourced from PubChem (CID 103459822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).