1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole

C20H20BrNO — CID 22387550

IUPAC1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
SMILESCCCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H20BrNO/c1-3-4-17-11-14-20(15-5-12-19(23-2)13-6-15)22(17)18-9-7-16(21)8-10-18/h5-14H,3-4H2,1-2H3
InChIKeyXYICDOYRTHSMAT-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.87
Rot. Bonds5

About 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole

1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole (PubChem CID 22387550) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
PubChem CID22387550
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC Name1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
SMILESCCCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H20BrNO/c1-3-4-17-11-14-20(15-5-12-19(23-2)13-6-15)22(17)18-9-7-16(21)8-10-18/h5-14H,3-4H2,1-2H3
InChIKeyXYICDOYRTHSMAT-UHFFFAOYSA-N
XLogP5.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole?
The IUPAC name of 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole (CID 22387550) is 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole is CCCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole?
The InChIKey is XYICDOYRTHSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c1-3-4-17-11-14-20(15-5-12-19(23-2)13-6-15)22(17)18-9-7-16(21)8-10-18/h5-14H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole?
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole has a molecular weight of 370.29 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole is sourced from PubChem (CID 22387550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).