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

C9H14OS — CID 81157083

IUPAC1-(3,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCCC(O)c1sc(C)cc1C
InChIInChI=1S/C9H14OS/c1-4-8(10)9-6(2)5-7(3)11-9/h5,8,10H,4H2,1-3H3
InChIKeyKOGMYJVZLHWEGJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.81
Rot. Bonds2

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

1-(3,5-dimethylthiophen-2-yl)propan-1-ol (PubChem CID 81157083) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)propan-1-ol
PubChem CID81157083
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(3,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCCC(O)c1sc(C)cc1C
InChIInChI=1S/C9H14OS/c1-4-8(10)9-6(2)5-7(3)11-9/h5,8,10H,4H2,1-3H3
InChIKeyKOGMYJVZLHWEGJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
CID 114875969
6-(3,5-dimethylthiophen-2-yl)-6-hydroxyhexanoic acid
CID 81157398
(3,5-dimethylthiophen-2-yl)-(1-ethylcyclopentyl)methanol
CID 81158901
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
CID 81156188
(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methanol
CID 81158627
2-(1-chloro-2-ethylhexyl)-3,5-dimethylthiophene
CID 81158270
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
2-(1-chloro-2,2-dimethylpropyl)-3,5-dimethylthiophene
CID 81157902
(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
CID 81158529
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol
CID 81157613

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)propan-1-ol (CID 81157083) is 1-(3,5-dimethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)propan-1-ol is CCC(O)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)propan-1-ol?
The InChIKey is KOGMYJVZLHWEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-4-8(10)9-6(2)5-7(3)11-9/h5,8,10H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)propan-1-ol?
1-(3,5-dimethylthiophen-2-yl)propan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 81157083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).