2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone

C11H10O2S — CID 12623906

IUPAC2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone
SMILESCc1cc2cccc(C(=O)CO)c2s1
InChIInChI=1S/C11H10O2S/c1-7-5-8-3-2-4-9(10(13)6-12)11(8)14-7/h2-5,12H,6H2,1H3
InChIKeyYZSYPDJNUJOPLP-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.38
Rot. Bonds2

About 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone

2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone (PubChem CID 12623906) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone
PubChem CID12623906
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone
SMILESCc1cc2cccc(C(=O)CO)c2s1
InChIInChI=1S/C11H10O2S/c1-7-5-8-3-2-4-9(10(13)6-12)11(8)14-7/h2-5,12H,6H2,1H3
InChIKeyYZSYPDJNUJOPLP-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-benzothiophen-7-yl)ethanol
CID 12623874
7-iodo-2-methyl-1-benzothiophene
CID 91103252
2-ethyl-1-benzothiophene-7-carboxylic acid
CID 84674306
7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
CID 170780824
2-(2-methylpropyl)-1-benzothiophene-7-carboxylic acid
CID 84697812
(2-naphthalen-1-yl-2-oxoethyl) 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9464807
2-(ethoxymethyl)-1-benzothiophene-7-carboxylic acid
CID 117183387
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7603594
N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
CID 117205172
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone (CID 12623906) is 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone is Cc1cc2cccc(C(=O)CO)c2s1.
What is the InChIKey of 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone?
The InChIKey is YZSYPDJNUJOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-5-8-3-2-4-9(10(13)6-12)11(8)14-7/h2-5,12H,6H2,1H3.
What are the key properties of 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone?
2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone has a molecular weight of 206.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone is sourced from PubChem (CID 12623906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).