(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate

C14H12O5S — CID 7442140

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)c2cccs2)c1
InChIInChI=1S/C14H12O5S/c1-18-9-4-5-11(15)10(7-9)14(17)19-8-12(16)13-3-2-6-20-13/h2-7,15H,8H2,1H3
InChIKeyIIFFOHKFOMPGDW-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.50
Rot. Bonds5

About (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate

(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate (PubChem CID 7442140) has the molecular formula C14H12O5S and a molecular weight of 292.31 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
PubChem CID7442140
Molecular FormulaC14H12O5S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCC(=O)c2cccs2)c1
InChIInChI=1S/C14H12O5S/c1-18-9-4-5-11(15)10(7-9)14(17)19-8-12(16)13-3-2-6-20-13/h2-7,15H,8H2,1H3
InChIKeyIIFFOHKFOMPGDW-UHFFFAOYSA-N
XLogP2.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 5-bromo-2-hydroxybenzoate
CID 7365706
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-4-methylbenzoate
CID 7568498
(2-oxo-2-thiophen-2-ylethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2568832
[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-3-methylbenzoate
CID 7840644
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-bromo-5-methoxybenzoate
CID 4560871
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
CID 8522085
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365642
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442206
(2-oxo-2-thiophen-2-ylethyl) 6-bromo-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate
CID 17260647

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate (CID 7442140) is (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCC(=O)c2cccs2)c1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate?
The InChIKey is IIFFOHKFOMPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S/c1-18-9-4-5-11(15)10(7-9)14(17)19-8-12(16)13-3-2-6-20-13/h2-7,15H,8H2,1H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate?
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate has a molecular weight of 292.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 7442140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).