4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid

C14H15NO3 — CID 67319956

IUPAC4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)n(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-11(14(16)17)13(18-3)12(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,16,17)
InChIKeyUPHBBWVOERVUOT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds3

About 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid

4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid (PubChem CID 67319956) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
PubChem CID67319956
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)n(C)c1-c1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-11(14(16)17)13(18-3)12(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,16,17)
InChIKeyUPHBBWVOERVUOT-UHFFFAOYSA-N
XLogP2.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1,5,6-trimethyl-4-oxo-2-phenylpyridine-3-carboxylate
CID 22159895
sodium;1,2-dimethyl-4-oxo-6-phenylpyridine-3-carboxylic acid;hydride
CID 173391931
1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
1-(1,2-dimethyl-4-nitro-5-phenylpyrrol-3-yl)ethanone
CID 14616642
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 28805977
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid (CID 67319956) is 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid is COc1c(C(=O)O)c(C)n(C)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid?
The InChIKey is UPHBBWVOERVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-11(14(16)17)13(18-3)12(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid?
4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 67319956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).