4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol

C24H21NO2 — CID 11132007

IUPAC4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C24H21NO2/c1-2-23-22(17-8-12-20(26)13-9-17)16-24(18-6-4-3-5-7-18)25(23)19-10-14-21(27)15-11-19/h3-16,26-27H,2H2,1H3
InChIKeyYBFZRGYWZJYEOK-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.78
Rot. Bonds4

About 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol

4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol (PubChem CID 11132007) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
PubChem CID11132007
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cc(-c2ccccc2)n1-c1ccc(O)cc1
InChIInChI=1S/C24H21NO2/c1-2-23-22(17-8-12-20(26)13-9-17)16-24(18-6-4-3-5-7-18)25(23)19-10-14-21(27)15-11-19/h3-16,26-27H,2H2,1H3
InChIKeyYBFZRGYWZJYEOK-UHFFFAOYSA-N
XLogP5.78
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol?
The IUPAC name of 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol (CID 11132007) is 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol.
What is the SMILES notation for 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol?
The canonical SMILES for 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol is CCc1c(-c2ccc(O)cc2)cc(-c2ccccc2)n1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol?
The InChIKey is YBFZRGYWZJYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-23-22(17-8-12-20(26)13-9-17)16-24(18-6-4-3-5-7-18)25(23)19-10-14-21(27)15-11-19/h3-16,26-27H,2H2,1H3.
What are the key properties of 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol?
4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol has a molecular weight of 355.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol is sourced from PubChem (CID 11132007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).