4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid

C15H15NO4 — CID 62505239

IUPAC4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-13(20-3)11(6-9)14(17)10-7-12(15(18)19)16(2)8-10/h4-8H,1-3H3,(H,18,19)
InChIKeyMUXLWAPEHCXTPL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.27
Rot. Bonds4

About 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid

4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 62505239) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID62505239
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-13(20-3)11(6-9)14(17)10-7-12(15(18)19)16(2)8-10/h4-8H,1-3H3,(H,18,19)
InChIKeyMUXLWAPEHCXTPL-UHFFFAOYSA-N
XLogP2.27
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43162043
1-methyl-4-(3-methylbenzoyl)pyrrole-2-carboxylic acid
CID 43340362
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972656
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 1489246
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid (CID 62505239) is 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid is COc1ccc(C)cc1C(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is MUXLWAPEHCXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-4-5-13(20-3)11(6-9)14(17)10-7-12(15(18)19)16(2)8-10/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid?
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 62505239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).