4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole

C19H19NO — CID 66617181

IUPAC4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3C)c[nH]2)cc1
InChIInChI=1S/C19H19NO/c1-13-4-9-18(14(2)10-13)16-11-19(20-12-16)15-5-7-17(21-3)8-6-15/h4-12,20H,1-3H3
InChIKeyQBMLGTCLOFWYDE-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.97
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole

4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole (PubChem CID 66617181) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
PubChem CID66617181
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3C)c[nH]2)cc1
InChIInChI=1S/C19H19NO/c1-13-4-9-18(14(2)10-13)16-11-19(20-12-16)15-5-7-17(21-3)8-6-15/h4-12,20H,1-3H3
InChIKeyQBMLGTCLOFWYDE-UHFFFAOYSA-N
XLogP4.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole (CID 66617181) is 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole is COc1ccc(-c2cc(-c3ccc(C)cc3C)c[nH]2)cc1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
The InChIKey is QBMLGTCLOFWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-4-9-18(14(2)10-13)16-11-19(20-12-16)15-5-7-17(21-3)8-6-15/h4-12,20H,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole?
4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole has a molecular weight of 277.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 66617181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).