methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate

C20H19NO4 — CID 14272789

IUPACmethyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate
SMILESCOC(=O)CC1(O)C(=O)C=C(c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-14-8-10-16(11-9-14)21-17(15-6-4-3-5-7-15)12-18(22)20(21,24)13-19(23)25-2/h3-12,24H,13H2,1-2H3
InChIKeyPJZFLTPUYIHROA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate

methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate (PubChem CID 14272789) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate
PubChem CID14272789
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate
SMILESCOC(=O)CC1(O)C(=O)C=C(c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-14-8-10-16(11-9-14)21-17(15-6-4-3-5-7-15)12-18(22)20(21,24)13-19(23)25-2/h3-12,24H,13H2,1-2H3
InChIKeyPJZFLTPUYIHROA-UHFFFAOYSA-N
XLogP2.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate (CID 14272789) is methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate is COC(=O)CC1(O)C(=O)C=C(c2ccccc2)N1c1ccc(C)cc1.
What is the InChIKey of methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate?
The InChIKey is PJZFLTPUYIHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-8-10-16(11-9-14)21-17(15-6-4-3-5-7-15)12-18(22)20(21,24)13-19(23)25-2/h3-12,24H,13H2,1-2H3.
What are the key properties of methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate?
methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate has a molecular weight of 337.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate is sourced from PubChem (CID 14272789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).