2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one

C8H10O2S — CID 103451508

IUPAC2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)O)cs1
InChIInChI=1S/C8H10O2S/c1-5-3-7(4-11-5)8(10)6(2)9/h3-4,6,9H,1-2H3
InChIKeyBGPIKFZDKXTFMP-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.62
Rot. Bonds2

About 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one

2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 103451508) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID103451508
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)O)cs1
InChIInChI=1S/C8H10O2S/c1-5-3-7(4-11-5)8(10)6(2)9/h3-4,6,9H,1-2H3
InChIKeyBGPIKFZDKXTFMP-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
2-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116708572
2-(aminomethyl)-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116574089
2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
CID 116587029
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
2,2-diethoxy-1-(5-methylthiophen-3-yl)ethanone
CID 79495934
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
CID 105106137
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
6-bicyclo[3.1.0]hexanyl-(5-methylthiophen-3-yl)methanone
CID 114976121
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
tert-butyl 5-methylthiophene-3-carboxylate
CID 101043264
N'-acetyl-5-methylthiophene-3-carbohydrazide
CID 131134139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one (CID 103451508) is 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one is Cc1cc(C(=O)C(C)O)cs1.
What is the InChIKey of 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is BGPIKFZDKXTFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-3-7(4-11-5)8(10)6(2)9/h3-4,6,9H,1-2H3.
What are the key properties of 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one?
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 170.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 103451508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).