methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate

C15H17NO3 — CID 135397515

IUPACmethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C15H17NO3/c1-9-7-11(5-6-13(9)18-3)12-8-10(2)14(16-12)15(17)19-4/h5-8,16H,1-4H3
InChIKeyRMPZMCSSELRRFH-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.09
Rot. Bonds3

About methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate

methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate (PubChem CID 135397515) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
PubChem CID135397515
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C15H17NO3/c1-9-7-11(5-6-13(9)18-3)12-8-10(2)14(16-12)15(17)19-4/h5-8,16H,1-4H3
InChIKeyRMPZMCSSELRRFH-UHFFFAOYSA-N
XLogP3.09
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-hydroxyethyl 5-(4-methoxyphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 175876328
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
CID 39401121
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
CID 23464758
methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 126838020
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate (CID 135397515) is methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(-c2ccc(OC)c(C)c2)cc1C.
What is the InChIKey of methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is RMPZMCSSELRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-7-11(5-6-13(9)18-3)12-8-10(2)14(16-12)15(17)19-4/h5-8,16H,1-4H3.
What are the key properties of methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate?
methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 135397515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).