(2,4-dimethoxyphenyl) thiophene-2-carboxylate

C13H12O4S — CID 59558858

IUPAC(2,4-dimethoxyphenyl) thiophene-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C13H12O4S/c1-15-9-5-6-10(11(8-9)16-2)17-13(14)12-4-3-7-18-12/h3-8H,1-2H3
InChIKeyUJGURAWIBFXZOV-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.98
Rot. Bonds4

About (2,4-dimethoxyphenyl) thiophene-2-carboxylate

(2,4-dimethoxyphenyl) thiophene-2-carboxylate (PubChem CID 59558858) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl) thiophene-2-carboxylate
PubChem CID59558858
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name(2,4-dimethoxyphenyl) thiophene-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C13H12O4S/c1-15-9-5-6-10(11(8-9)16-2)17-13(14)12-4-3-7-18-12/h3-8H,1-2H3
InChIKeyUJGURAWIBFXZOV-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-(tert-butylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 6901439
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
2-cyano-3-[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]prop-2-enoic acid
CID 4159163
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 2676847
diethyl 4-[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 34257471
[4-[(E)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6883097
[4-[[(4-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 4071747
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
[4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 6910086
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl) thiophene-2-carboxylate?
The IUPAC name of (2,4-dimethoxyphenyl) thiophene-2-carboxylate (CID 59558858) is (2,4-dimethoxyphenyl) thiophene-2-carboxylate.
What is the SMILES notation for (2,4-dimethoxyphenyl) thiophene-2-carboxylate?
The canonical SMILES for (2,4-dimethoxyphenyl) thiophene-2-carboxylate is COc1ccc(OC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl) thiophene-2-carboxylate?
The InChIKey is UJGURAWIBFXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-15-9-5-6-10(11(8-9)16-2)17-13(14)12-4-3-7-18-12/h3-8H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl) thiophene-2-carboxylate?
(2,4-dimethoxyphenyl) thiophene-2-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl) thiophene-2-carboxylate is sourced from PubChem (CID 59558858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).