ethane;2-thiophen-3-ylpropan-2-ol

C9H16OS — CID 144659448

IUPACethane;2-thiophen-3-ylpropan-2-ol
SMILESCC.CC(C)(O)c1ccsc1
InChIInChI=1S/C7H10OS.C2H6/c1-7(2,8)6-3-4-9-5-6;1-2/h3-5,8H,1-2H3;1-2H3
InChIKeyDSNBZDWSLXTHPQ-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.00
Rot. Bonds1

About ethane;2-thiophen-3-ylpropan-2-ol

ethane;2-thiophen-3-ylpropan-2-ol (PubChem CID 144659448) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is ethane;2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Nameethane;2-thiophen-3-ylpropan-2-ol
PubChem CID144659448
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Nameethane;2-thiophen-3-ylpropan-2-ol
SMILESCC.CC(C)(O)c1ccsc1
InChIInChI=1S/C7H10OS.C2H6/c1-7(2,8)6-3-4-9-5-6;1-2/h3-5,8H,1-2H3;1-2H3
InChIKeyDSNBZDWSLXTHPQ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(methylamino)-thiophen-3-ylmethanol
CID 126493654
3-thiophen-3-ylpentan-3-ol
CID 65099780
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
CID 127003873
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
3-(trifluoromethyl)thiophene
CID 2769441
1-(3-chlorophenyl)-1-thiophen-3-ylethanol
CID 65099490
1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol
CID 131210776
3-thiophen-3-ylpent-1-en-3-ol
CID 130929664
2-methyl-3-thiophen-3-ylpent-1-en-3-ol
CID 131021089
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293

Frequently Asked Questions

What is the IUPAC name of ethane;2-thiophen-3-ylpropan-2-ol?
The IUPAC name of ethane;2-thiophen-3-ylpropan-2-ol (CID 144659448) is ethane;2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for ethane;2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for ethane;2-thiophen-3-ylpropan-2-ol is CC.CC(C)(O)c1ccsc1.
What is the InChIKey of ethane;2-thiophen-3-ylpropan-2-ol?
The InChIKey is DSNBZDWSLXTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS.C2H6/c1-7(2,8)6-3-4-9-5-6;1-2/h3-5,8H,1-2H3;1-2H3.
What are the key properties of ethane;2-thiophen-3-ylpropan-2-ol?
ethane;2-thiophen-3-ylpropan-2-ol has a molecular weight of 172.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 144659448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).