2-(thiophen-3-ylmethyl)butan-1-ol

C9H14OS — CID 21301482

IUPAC2-(thiophen-3-ylmethyl)butan-1-ol
SMILESCCC(CO)Cc1ccsc1
InChIInChI=1S/C9H14OS/c1-2-8(6-10)5-9-3-4-11-7-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeySXULGGDJMCFVTB-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.31
Rot. Bonds4

About 2-(thiophen-3-ylmethyl)butan-1-ol

2-(thiophen-3-ylmethyl)butan-1-ol (PubChem CID 21301482) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-(thiophen-3-ylmethyl)butan-1-ol
PubChem CID21301482
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(thiophen-3-ylmethyl)butan-1-ol
SMILESCCC(CO)Cc1ccsc1
InChIInChI=1S/C9H14OS/c1-2-8(6-10)5-9-3-4-11-7-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeySXULGGDJMCFVTB-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylbutyl)thiophene
CID 89133993
2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493
3-(2-hexyldecyl)thiophene
CID 67456553
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
3-[2-(chloromethyl)pentyl]thiophene
CID 66036116
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethyl)butan-1-ol?
The IUPAC name of 2-(thiophen-3-ylmethyl)butan-1-ol (CID 21301482) is 2-(thiophen-3-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-(thiophen-3-ylmethyl)butan-1-ol?
The canonical SMILES for 2-(thiophen-3-ylmethyl)butan-1-ol is CCC(CO)Cc1ccsc1.
What is the InChIKey of 2-(thiophen-3-ylmethyl)butan-1-ol?
The InChIKey is SXULGGDJMCFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-2-8(6-10)5-9-3-4-11-7-9/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of 2-(thiophen-3-ylmethyl)butan-1-ol?
2-(thiophen-3-ylmethyl)butan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethyl)butan-1-ol is sourced from PubChem (CID 21301482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).