methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate

C25H21NO5 — CID 91321739

IUPACmethyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccc(O)cc3O)cc2)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H21NO5/c1-30-21-10-7-19(8-11-21)26-15-18(25(29)31-2)13-23(26)17-5-3-16(4-6-17)22-12-9-20(27)14-24(22)28/h3-15,27-28H,1-2H3
InChIKeyFMADYYJPIBSJAE-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.02
Rot. Bonds5

About methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate

methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate (PubChem CID 91321739) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate
PubChem CID91321739
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Namemethyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccc(O)cc3O)cc2)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H21NO5/c1-30-21-10-7-19(8-11-21)26-15-18(25(29)31-2)13-23(26)17-5-3-16(4-6-17)22-12-9-20(27)14-24(22)28/h3-15,27-28H,1-2H3
InChIKeyFMADYYJPIBSJAE-UHFFFAOYSA-N
XLogP5.02
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
CID 102205487
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
[5-hydroxy-2-(4-methoxyphenyl)phenyl] acetate
CID 164597980
methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
CID 146165919
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide
CID 175323556
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
methyl 6-(4-methoxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637487

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate (CID 91321739) is methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate is COC(=O)c1cc(-c2ccc(-c3ccc(O)cc3O)cc2)n(-c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate?
The InChIKey is FMADYYJPIBSJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-30-21-10-7-19(8-11-21)26-15-18(25(29)31-2)13-23(26)17-5-3-16(4-6-17)22-12-9-20(27)14-24(22)28/h3-15,27-28H,1-2H3.
What are the key properties of methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate?
methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 91321739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).