1-thiophen-3-ylpropan-2-ol

C7H10OS — CID 22901911

IUPAC1-thiophen-3-ylpropan-2-ol
SMILESCC(O)Cc1ccsc1
InChIInChI=1S/C7H10OS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,8H,4H2,1H3
InChIKeyTZNKFBAAGCSCIX-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.67
Rot. Bonds2

About 1-thiophen-3-ylpropan-2-ol

1-thiophen-3-ylpropan-2-ol (PubChem CID 22901911) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-thiophen-3-ylpropan-2-ol
PubChem CID22901911
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name1-thiophen-3-ylpropan-2-ol
SMILESCC(O)Cc1ccsc1
InChIInChI=1S/C7H10OS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,8H,4H2,1H3
InChIKeyTZNKFBAAGCSCIX-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene-3-ethanol
CID 83731
2-(2,5-Dimethylthiophen-3-yl)ethan-1-ol
CID 13144702
(2s)-1-(Thiophen-3-yl)propan-2-ol
CID 75406823
(alphaS)-alpha-Methyl-3-thiophenemethanol
CID 11297979
3-Methyl-1-(thiophen-3-yl)butan-2-ol
CID 62605936
(1S,2R)-2-fluoro-1-(thiophen-3-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415754
1-Thiophen-3-yloctan-1-ol
CID 10584670
o-(2-(Thiophen-3-yl)ethyl)hydroxylamine
CID 11147791
(1R)-1-(thiophen-3-yl)ethan-1-ol
CID 11528346
1-(Thiophen-3-yl)ethanol
CID 12744375
3-(3-Thienyl)-1-propanol
CID 13109867
6-(Thiophen-3-yl)hexan-1-ol
CID 13557546

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-thiophen-3-ylpropan-2-ol (CID 22901911) is 1-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-thiophen-3-ylpropan-2-ol is CC(O)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylpropan-2-ol?
The InChIKey is TZNKFBAAGCSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 1-thiophen-3-ylpropan-2-ol?
1-thiophen-3-ylpropan-2-ol has a molecular weight of 142.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 22901911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).