ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate

C23H23NO5 — CID 134158522

IUPACethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)Cc1c(O)c(C(=O)OCC)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H23NO5/c1-3-28-19(25)15-18-22(26)20(23(27)29-4-2)21(16-11-7-5-8-12-16)24(18)17-13-9-6-10-14-17/h5-14,26H,3-4,15H2,1-2H3
InChIKeyCMALDCOTGFJJPA-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.13
Rot. Bonds7

About ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate

ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate (PubChem CID 134158522) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate
PubChem CID134158522
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Nameethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)Cc1c(O)c(C(=O)OCC)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H23NO5/c1-3-28-19(25)15-18-22(26)20(23(27)29-4-2)21(16-11-7-5-8-12-16)24(18)17-13-9-6-10-14-17/h5-14,26H,3-4,15H2,1-2H3
InChIKeyCMALDCOTGFJJPA-UHFFFAOYSA-N
XLogP4.13
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 1-(4-ethoxycarbonylphenyl)-2-phenyl-5-propylpyrrole-3,4-dicarboxylate
CID 101336364
ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
4-(2-ethoxy-2-oxoethyl)-1,5-diphenylpyrazole-3-carboxylic acid
CID 59581391
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
CID 10784928
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 4-[2,3-dihydroxy-4-(2-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90822104
ethyl 4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]benzoate
CID 90839503
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate
CID 136741844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate (CID 134158522) is ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate is CCOC(=O)Cc1c(O)c(C(=O)OCC)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate?
The InChIKey is CMALDCOTGFJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-28-19(25)15-18-22(26)20(23(27)29-4-2)21(16-11-7-5-8-12-16)24(18)17-13-9-6-10-14-17/h5-14,26H,3-4,15H2,1-2H3.
What are the key properties of ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate?
ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate is sourced from PubChem (CID 134158522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).