2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole

C17H14ClN — CID 122399825

IUPAC2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
SMILESCc1ccc(-n2cccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN/c1-13-4-10-16(11-5-13)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h2-12H,1H3
InChIKeyNVBZPVIJUUJKCY-UHFFFAOYSA-N
MW267.76 g/mol
LogP5.11
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole

2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole (PubChem CID 122399825) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
PubChem CID122399825
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole
SMILESCc1ccc(-n2cccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN/c1-13-4-10-16(11-5-13)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h2-12H,1H3
InChIKeyNVBZPVIJUUJKCY-UHFFFAOYSA-N
XLogP5.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.76
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrrole
CID 54105275
methyl 4-[1-(4-methylphenyl)pyrrol-2-yl]benzoate
CID 122399826
2-bromo-4-[2-(4-chlorophenyl)pyrrol-1-yl]benzonitrile
CID 134478970
1-chloro-4-methylbenzene;zinc
CID 174694335
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
1-(4-methylphenyl)-2-propan-2-ylpyrrole
CID 67473616
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole (CID 122399825) is 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole is Cc1ccc(-n2cccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole?
The InChIKey is NVBZPVIJUUJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN/c1-13-4-10-16(11-5-13)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h2-12H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole?
2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole has a molecular weight of 267.76 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole is sourced from PubChem (CID 122399825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).