methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate

C28H25NO6 — CID 58773623

IUPACmethyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(OC)cc2)cn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H25NO6/c1-33-22-12-6-18(7-13-22)24-16-29(17-25(31)19-8-14-23(34-2)15-9-19)27(28(32)35-3)26(24)20-4-10-21(30)11-5-20/h4-16,30H,17H2,1-3H3
InChIKeyMBSZMKVHFFGYMQ-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.21
Rot. Bonds8

About methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate

methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate (PubChem CID 58773623) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
PubChem CID58773623
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Namemethyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(OC)cc2)cn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C28H25NO6/c1-33-22-12-6-18(7-13-22)24-16-29(17-25(31)19-8-14-23(34-2)15-9-19)27(28(32)35-3)26(24)20-4-10-21(30)11-5-20/h4-16,30H,17H2,1-3H3
InChIKeyMBSZMKVHFFGYMQ-UHFFFAOYSA-N
XLogP5.21
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]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 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate (CID 58773623) is methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate is COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(OC)cc2)cn1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate?
The InChIKey is MBSZMKVHFFGYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c1-33-22-12-6-18(7-13-22)24-16-29(17-25(31)19-8-14-23(34-2)15-9-19)27(28(32)35-3)26(24)20-4-10-21(30)11-5-20/h4-16,30H,17H2,1-3H3.
What are the key properties of methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate?
methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate has a molecular weight of 471.51 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 58773623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).