1-methyl-4,5-diphenylpyrrol-2-ol

C17H15NO — CID 20512182

IUPAC1-methyl-4,5-diphenylpyrrol-2-ol
SMILESCn1c(O)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15NO/c1-18-16(19)12-15(13-8-4-2-5-9-13)17(18)14-10-6-3-7-11-14/h2-12,19H,1H3
InChIKeyMTAQLZYJQRNEDX-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-4,5-diphenylpyrrol-2-ol

1-methyl-4,5-diphenylpyrrol-2-ol (PubChem CID 20512182) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-4,5-diphenylpyrrol-2-ol.

Molecular Properties

Compound Name1-methyl-4,5-diphenylpyrrol-2-ol
PubChem CID20512182
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-methyl-4,5-diphenylpyrrol-2-ol
SMILESCn1c(O)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15NO/c1-18-16(19)12-15(13-8-4-2-5-9-13)17(18)14-10-6-3-7-11-14/h2-12,19H,1H3
InChIKeyMTAQLZYJQRNEDX-UHFFFAOYSA-N
XLogP4.06
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-diphenylpyrrol-2-ol?
The IUPAC name of 1-methyl-4,5-diphenylpyrrol-2-ol (CID 20512182) is 1-methyl-4,5-diphenylpyrrol-2-ol.
What is the SMILES notation for 1-methyl-4,5-diphenylpyrrol-2-ol?
The canonical SMILES for 1-methyl-4,5-diphenylpyrrol-2-ol is Cn1c(O)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-4,5-diphenylpyrrol-2-ol?
The InChIKey is MTAQLZYJQRNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-18-16(19)12-15(13-8-4-2-5-9-13)17(18)14-10-6-3-7-11-14/h2-12,19H,1H3.
What are the key properties of 1-methyl-4,5-diphenylpyrrol-2-ol?
1-methyl-4,5-diphenylpyrrol-2-ol has a molecular weight of 249.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-diphenylpyrrol-2-ol is sourced from PubChem (CID 20512182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).