1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole

C18H14Br3NO — CID 22387663

IUPAC1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole
SMILESCOc1c(Br)cc(-c2ccc(C)n2-c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H14Br3NO/c1-11-3-8-17(22(11)14-6-4-13(19)5-7-14)12-9-15(20)18(23-2)16(21)10-12/h3-10H,1-2H3
InChIKeyZKIVPWQYEOYXEN-UHFFFAOYSA-N
MW500.03 g/mol
LogP6.75
Rot. Bonds3

About 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole

1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole (PubChem CID 22387663) has the molecular formula C18H14Br3NO and a molecular weight of 500.03 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole
PubChem CID22387663
Molecular FormulaC18H14Br3NO
Molecular Weight500.03 g/mol
Exact Mass496.86
IUPAC Name1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole
SMILESCOc1c(Br)cc(-c2ccc(C)n2-c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H14Br3NO/c1-11-3-8-17(22(11)14-6-4-13(19)5-7-14)12-9-15(20)18(23-2)16(21)10-12/h3-10H,1-2H3
InChIKeyZKIVPWQYEOYXEN-UHFFFAOYSA-N
XLogP6.75
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.03
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
CID 86230996
1,2-bis(3-methoxyphenyl)-5-methylpyrrole
CID 91755634
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
CID 22387550
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90139024
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894
2-(4-bromophenyl)-5-[4-(4-bromophenyl)buta-1,3-diynyl]-1-(4-methoxyphenyl)pyrrole
CID 101384824
2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 53417090
1-[3-bromo-5-chloro-4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methyl-5-phenylpyrrole
CID 177473619
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole?
The IUPAC name of 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole (CID 22387663) is 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole is COc1c(Br)cc(-c2ccc(C)n2-c2ccc(Br)cc2)cc1Br.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole?
The InChIKey is ZKIVPWQYEOYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br3NO/c1-11-3-8-17(22(11)14-6-4-13(19)5-7-14)12-9-15(20)18(23-2)16(21)10-12/h3-10H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole?
1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole has a molecular weight of 500.03 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3,5-dibromo-4-methoxyphenyl)-5-methylpyrrole is sourced from PubChem (CID 22387663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).