3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol

C12H20OS — CID 82919949

IUPAC3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol
SMILESCCC(CC)CC(O)c1cscc1C
InChIInChI=1S/C12H20OS/c1-4-10(5-2)6-12(13)11-8-14-7-9(11)3/h7-8,10,12-13H,4-6H2,1-3H3
InChIKeyPCDLYPWQYNQULF-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.92
Rot. Bonds5

About 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol

3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol (PubChem CID 82919949) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol
PubChem CID82919949
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol
SMILESCCC(CC)CC(O)c1cscc1C
InChIInChI=1S/C12H20OS/c1-4-10(5-2)6-12(13)11-8-14-7-9(11)3/h7-8,10,12-13H,4-6H2,1-3H3
InChIKeyPCDLYPWQYNQULF-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 115516207
2-hydroxy-2-(4-methylthiophen-3-yl)ethanesulfonic acid
CID 175129954
1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
CID 104804116
[3-ethyl-1-(4-methylthiophen-3-yl)heptyl]hydrazine
CID 105251746
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 83175177
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
2-amino-2-(4-methylthiophen-3-yl)ethanol
CID 84763905
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
CID 79807812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol (CID 82919949) is 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol is CCC(CC)CC(O)c1cscc1C.
What is the InChIKey of 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol?
The InChIKey is PCDLYPWQYNQULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-4-10(5-2)6-12(13)11-8-14-7-9(11)3/h7-8,10,12-13H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol?
3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol is sourced from PubChem (CID 82919949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).