2-methyl-1-thiophen-3-ylbutan-1-ol

C9H14OS — CID 65099391

IUPAC2-methyl-1-thiophen-3-ylbutan-1-ol
SMILESCCC(C)C(O)c1ccsc1
InChIInChI=1S/C9H14OS/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9-10H,3H2,1-2H3
InChIKeyIEXWPEMEKRNUNT-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.83
Rot. Bonds3

About 2-methyl-1-thiophen-3-ylbutan-1-ol

2-methyl-1-thiophen-3-ylbutan-1-ol (PubChem CID 65099391) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-1-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-thiophen-3-ylbutan-1-ol
PubChem CID65099391
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-methyl-1-thiophen-3-ylbutan-1-ol
SMILESCCC(C)C(O)c1ccsc1
InChIInChI=1S/C9H14OS/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9-10H,3H2,1-2H3
InChIKeyIEXWPEMEKRNUNT-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
2-methoxy-1-thiophen-3-ylpentan-1-ol
CID 116711807
3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 115891676
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
methyl 3-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62089111
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
ethyl 2-thiophen-3-ylbutanoate
CID 12577566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-3-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-thiophen-3-ylbutan-1-ol (CID 65099391) is 2-methyl-1-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-thiophen-3-ylbutan-1-ol is CCC(C)C(O)c1ccsc1.
What is the InChIKey of 2-methyl-1-thiophen-3-ylbutan-1-ol?
The InChIKey is IEXWPEMEKRNUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9-10H,3H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-3-ylbutan-1-ol?
2-methyl-1-thiophen-3-ylbutan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-3-ylbutan-1-ol is sourced from PubChem (CID 65099391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).