2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole

C25H22FNO3 — CID 24944709

IUPAC2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3F)[nH]2)cc1
InChIInChI=1S/C25H22FNO3/c1-28-18-8-4-16(5-9-18)22-15-24(17-6-10-19(29-2)11-7-17)27-25(22)21-13-12-20(30-3)14-23(21)26/h4-15,27H,1-3H3
InChIKeyCYBOUUUBXDZPSO-UHFFFAOYSA-N
MW403.45 g/mol
LogP6.18
Rot. Bonds6

About 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole

2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole (PubChem CID 24944709) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole
PubChem CID24944709
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3F)[nH]2)cc1
InChIInChI=1S/C25H22FNO3/c1-28-18-8-4-16(5-9-18)22-15-24(17-6-10-19(29-2)11-7-17)27-25(22)21-13-12-20(30-3)14-23(21)26/h4-15,27H,1-3H3
InChIKeyCYBOUUUBXDZPSO-UHFFFAOYSA-N
XLogP6.18
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole (CID 24944709) is 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3F)[nH]2)cc1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole?
The InChIKey is CYBOUUUBXDZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-28-18-8-4-16(5-9-18)22-15-24(17-6-10-19(29-2)11-7-17)27-25(22)21-13-12-20(30-3)14-23(21)26/h4-15,27H,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole?
2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole has a molecular weight of 403.45 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 24944709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).