ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate

C23H25NO4 — CID 70683210

IUPACethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C23H25NO4/c1-4-28-23(25)16-10-19-9-15-22(17-5-11-20(26-2)12-6-17)24(19)18-7-13-21(27-3)14-8-18/h5-9,11-15H,4,10,16H2,1-3H3
InChIKeyUHYIETVUHOUAQP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.66
Rot. Bonds8

About ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate

ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate (PubChem CID 70683210) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate
PubChem CID70683210
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Nameethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C23H25NO4/c1-4-28-23(25)16-10-19-9-15-22(17-5-11-20(26-2)12-6-17)24(19)18-7-13-21(27-3)14-8-18/h5-9,11-15H,4,10,16H2,1-3H3
InChIKeyUHYIETVUHOUAQP-UHFFFAOYSA-N
XLogP4.66
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The IUPAC name of ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate (CID 70683210) is ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate is CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate?
The InChIKey is UHYIETVUHOUAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-28-23(25)16-10-19-9-15-22(17-5-11-20(26-2)12-6-17)24(19)18-7-13-21(27-3)14-8-18/h5-9,11-15H,4,10,16H2,1-3H3.
What are the key properties of ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate?
ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate has a molecular weight of 379.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1,5-bis(4-methoxyphenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 70683210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).