4,5-diphenyl-1H-pyrrol-2-ol

C16H13NO — CID 20512199

IUPAC4,5-diphenyl-1H-pyrrol-2-ol
SMILESOc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H13NO/c18-15-11-14(12-7-3-1-4-8-12)16(17-15)13-9-5-2-6-10-13/h1-11,17-18H
InChIKeyPGODKMKQMBPBQU-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.05
Rot. Bonds2

About 4,5-diphenyl-1H-pyrrol-2-ol

4,5-diphenyl-1H-pyrrol-2-ol (PubChem CID 20512199) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4,5-diphenyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name4,5-diphenyl-1H-pyrrol-2-ol
PubChem CID20512199
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4,5-diphenyl-1H-pyrrol-2-ol
SMILESOc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H13NO/c18-15-11-14(12-7-3-1-4-8-12)16(17-15)13-9-5-2-6-10-13/h1-11,17-18H
InChIKeyPGODKMKQMBPBQU-UHFFFAOYSA-N
XLogP4.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1H-pyrrol-2-ol?
The IUPAC name of 4,5-diphenyl-1H-pyrrol-2-ol (CID 20512199) is 4,5-diphenyl-1H-pyrrol-2-ol.
What is the SMILES notation for 4,5-diphenyl-1H-pyrrol-2-ol?
The canonical SMILES for 4,5-diphenyl-1H-pyrrol-2-ol is Oc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4,5-diphenyl-1H-pyrrol-2-ol?
The InChIKey is PGODKMKQMBPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-15-11-14(12-7-3-1-4-8-12)16(17-15)13-9-5-2-6-10-13/h1-11,17-18H.
What are the key properties of 4,5-diphenyl-1H-pyrrol-2-ol?
4,5-diphenyl-1H-pyrrol-2-ol has a molecular weight of 235.29 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1H-pyrrol-2-ol is sourced from PubChem (CID 20512199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).