ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

C23H25NO6 — CID 137331754

IUPACethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25NO6/c1-6-30-23(25)21-20(15-11-18(27-3)22(29-5)19(12-15)28-4)17(13-24-21)14-7-9-16(26-2)10-8-14/h7-13,24H,6H2,1-5H3
InChIKeyWQFFFVJMDLTGQO-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.56
Rot. Bonds8

About ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 137331754) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID137331754
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Nameethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25NO6/c1-6-30-23(25)21-20(15-11-18(27-3)22(29-5)19(12-15)28-4)17(13-24-21)14-7-9-16(26-2)10-8-14/h7-13,24H,6H2,1-5H3
InChIKeyWQFFFVJMDLTGQO-UHFFFAOYSA-N
XLogP4.56
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331756
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102062888
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734
ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
CID 59988458
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 3-(2-chloro-4-methoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylate
CID 155906970
methyl 4-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)-1H-pyrrole-2-carboxylate
CID 142934692
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 126601197
ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate
CID 146168617
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (CID 137331754) is ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is WQFFFVJMDLTGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-6-30-23(25)21-20(15-11-18(27-3)22(29-5)19(12-15)28-4)17(13-24-21)14-7-9-16(26-2)10-8-14/h7-13,24H,6H2,1-5H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 411.45 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 137331754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).