dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate

C15H15NO5 — CID 102205487

IUPACdimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C15H15NO5/c1-19-12-6-4-11(5-7-12)16-9-10(14(17)20-2)8-13(16)15(18)21-3/h4-9H,1-3H3
InChIKeyOOJMMWWLVHSFOF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.06
Rot. Bonds4

About dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate

dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate (PubChem CID 102205487) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
PubChem CID102205487
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namedimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C15H15NO5/c1-19-12-6-4-11(5-7-12)16-9-10(14(17)20-2)8-13(16)15(18)21-3/h4-9H,1-3H3
InChIKeyOOJMMWWLVHSFOF-UHFFFAOYSA-N
XLogP2.06
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 91321739
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 1-(4-acetylphenyl)-5-bromo-6-oxopyridine-3-carboxylate
CID 661069
anisole;methyl 4-methoxybenzoate
CID 158093995
formic acid;methyl 4-methoxybenzoate
CID 159779883
N-methoxy-1-(4-methoxyphenyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 91955056
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate
CID 145007777

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate?
The IUPAC name of dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate (CID 102205487) is dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)c1.
What is the InChIKey of dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate?
The InChIKey is OOJMMWWLVHSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-6-4-11(5-7-12)16-9-10(14(17)20-2)8-13(16)15(18)21-3/h4-9H,1-3H3.
What are the key properties of dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate?
dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 102205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).