3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole

C25H22FNO2 — CID 69209276

IUPAC3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCCOc1cccc(-c2cc(-c3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H22FNO2/c1-3-29-22-6-4-5-19(15-22)23-16-24(17-7-11-20(26)12-8-17)27-25(23)18-9-13-21(28-2)14-10-18/h4-16,27H,3H2,1-2H3
InChIKeyRQPRQWFXWGRUSM-UHFFFAOYSA-N
MW387.45 g/mol
LogP6.56
Rot. Bonds6

About 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole

3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole (PubChem CID 69209276) has the molecular formula C25H22FNO2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole
PubChem CID69209276
Molecular FormulaC25H22FNO2
Molecular Weight387.45 g/mol
Exact Mass387.16
IUPAC Name3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCCOc1cccc(-c2cc(-c3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H22FNO2/c1-3-29-22-6-4-5-19(15-22)23-16-24(17-7-11-20(26)12-8-17)27-25(23)18-9-13-21(28-2)14-10-18/h4-16,27H,3H2,1-2H3
InChIKeyRQPRQWFXWGRUSM-UHFFFAOYSA-N
XLogP6.56
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
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CID 107602864
2-(4-methoxyphenyl)-3H-indeno[2,1-b]pyrrol-4-one
CID 135020716
4-ethoxy-6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 24976004
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
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5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)aniline
CID 57482711

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole (CID 69209276) is 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole is CCOc1cccc(-c2cc(-c3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The InChIKey is RQPRQWFXWGRUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO2/c1-3-29-22-6-4-5-19(15-22)23-16-24(17-7-11-20(26)12-8-17)27-25(23)18-9-13-21(28-2)14-10-18/h4-16,27H,3H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole has a molecular weight of 387.45 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 69209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).