2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate

C14H12O5S — CID 87011686

IUPAC2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccccc2OC)s1
InChIInChI=1S/C14H12O5S/c1-17-9-5-3-4-6-10(9)19-14(16)12-8-7-11(20-12)13(15)18-2/h3-8H,1-2H3
InChIKeyVQCSXHFMTJGQBF-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.76
Rot. Bonds4

About 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate

2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate (PubChem CID 87011686) has the molecular formula C14H12O5S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
PubChem CID87011686
Molecular FormulaC14H12O5S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccccc2OC)s1
InChIInChI=1S/C14H12O5S/c1-17-9-5-3-4-6-10(9)19-14(16)12-8-7-11(20-12)13(15)18-2/h3-8H,1-2H3
InChIKeyVQCSXHFMTJGQBF-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
methyl 5-(2,2-dibromoacetyl)thiophene-2-carboxylate
CID 57362687
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
(2-methoxy-4-methoxycarbonylphenyl) 1-benzothiophene-2-carboxylate
CID 27845824
methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69292192
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CID 118040465
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
CID 87028686
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
CID 158503805

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate?
The IUPAC name of 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate (CID 87011686) is 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate.
What is the SMILES notation for 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate?
The canonical SMILES for 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate is COC(=O)c1ccc(C(=O)Oc2ccccc2OC)s1.
What is the InChIKey of 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate?
The InChIKey is VQCSXHFMTJGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S/c1-17-9-5-3-4-6-10(9)19-14(16)12-8-7-11(20-12)13(15)18-2/h3-8H,1-2H3.
What are the key properties of 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate?
2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate is sourced from PubChem (CID 87011686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).