methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate

C24H19NO5 — CID 10023974

IUPACmethyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1
InChIInChI=1S/C24H19NO5/c1-30-24(29)23-22(16-4-10-19(27)11-5-16)21(15-2-8-18(26)9-3-15)14-25(23)17-6-12-20(28)13-7-17/h2-14,26-28H,1H3
InChIKeyFXJUUBGKHDHCBO-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.71
Rot. Bonds4

About methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate

methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate (PubChem CID 10023974) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate
PubChem CID10023974
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Namemethyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1
InChIInChI=1S/C24H19NO5/c1-30-24(29)23-22(16-4-10-19(27)11-5-16)21(15-2-8-18(26)9-3-15)14-25(23)17-6-12-20(28)13-7-17/h2-14,26-28H,1H3
InChIKeyFXJUUBGKHDHCBO-UHFFFAOYSA-N
XLogP4.71
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate 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 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate (CID 10023974) is methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1.
What is the InChIKey of methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate?
The InChIKey is FXJUUBGKHDHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-30-24(29)23-22(16-4-10-19(27)11-5-16)21(15-2-8-18(26)9-3-15)14-25(23)17-6-12-20(28)13-7-17/h2-14,26-28H,1H3.
What are the key properties of methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate?
methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 10023974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).