[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate

C15H14O4S — CID 8861754

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1cc(C(=O)COC(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C15H14O4S/c1-9-7-12(10(2)20-9)14(17)8-19-15(18)11-5-3-4-6-13(11)16/h3-7,16H,8H2,1-2H3
InChIKeyJQAPYGSXKHZLLN-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.11
Rot. Bonds4

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 8861754) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID8861754
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESCc1cc(C(=O)COC(=O)c2ccccc2O)c(C)s1
InChIInChI=1S/C15H14O4S/c1-9-7-12(10(2)20-9)14(17)8-19-15(18)11-5-3-4-6-13(11)16/h3-7,16H,8H2,1-2H3
InChIKeyJQAPYGSXKHZLLN-UHFFFAOYSA-N
XLogP3.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123266
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7604414
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7603594
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 9059199
(2-naphthalen-1-yl-2-oxoethyl) 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9464807
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 7797701
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648433
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 8942550
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 8955385

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate (CID 8861754) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate is Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is JQAPYGSXKHZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-9-7-12(10(2)20-9)14(17)8-19-15(18)11-5-3-4-6-13(11)16/h3-7,16H,8H2,1-2H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 290.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 8861754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).