2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid

C24H27NO4 — CID 129267335

IUPAC2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid
SMILESCOc1ccc(-c2cc(CC(C)C)n(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27NO4/c1-16(2)13-19-14-22(17-5-9-20(28-3)10-6-17)24(25(19)15-23(26)27)18-7-11-21(29-4)12-8-18/h5-12,14,16H,13,15H2,1-4H3,(H,26,27)
InChIKeyIVIABPFISIYAPO-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.12
Rot. Bonds8

About 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid

2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid (PubChem CID 129267335) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid
PubChem CID129267335
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid
SMILESCOc1ccc(-c2cc(CC(C)C)n(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27NO4/c1-16(2)13-19-14-22(17-5-9-20(28-3)10-6-17)24(25(19)15-23(26)27)18-7-11-21(29-4)12-8-18/h5-12,14,16H,13,15H2,1-4H3,(H,26,27)
InChIKeyIVIABPFISIYAPO-UHFFFAOYSA-N
XLogP5.12
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]benzoate
CID 129267303
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[3-bromo-2-(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]-5-(4-methoxyphenyl)benzoic acid
CID 129267418
2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
CID 70195964
3-[5-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrol-2-yl]propanoic acid
CID 954351
ethyl 2-[5-formyl-2,3-bis(4-methoxyphenyl)pyrrol-1-yl]acetate
CID 129267334
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid (CID 129267335) is 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid is COc1ccc(-c2cc(CC(C)C)n(CC(=O)O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid?
The InChIKey is IVIABPFISIYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16(2)13-19-14-22(17-5-9-20(28-3)10-6-17)24(25(19)15-23(26)27)18-7-11-21(29-4)12-8-18/h5-12,14,16H,13,15H2,1-4H3,(H,26,27).
What are the key properties of 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid?
2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid has a molecular weight of 393.48 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(4-methoxyphenyl)-5-(2-methylpropyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 129267335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).