2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol

C21H14FNO2 — CID 135454811

IUPAC2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14FNO2/c22-18-10-14(6-9-21(18)25)20-12-16(13-4-2-1-3-5-13)17-11-15(24)7-8-19(17)23-20/h1-12,24-25H
InChIKeyMYJNCCMUFZBCJX-UHFFFAOYSA-N
MW331.35 g/mol
LogP5.12
Rot. Bonds2

About 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol

2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol (PubChem CID 135454811) has the molecular formula C21H14FNO2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol
PubChem CID135454811
Molecular FormulaC21H14FNO2
Molecular Weight331.35 g/mol
Exact Mass331.10
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14FNO2/c22-18-10-14(6-9-21(18)25)20-12-16(13-4-2-1-3-5-13)17-11-15(24)7-8-19(17)23-20/h1-12,24-25H
InChIKeyMYJNCCMUFZBCJX-UHFFFAOYSA-N
XLogP5.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.35
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol (CID 135454811) is 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol is Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol?
The InChIKey is MYJNCCMUFZBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO2/c22-18-10-14(6-9-21(18)25)20-12-16(13-4-2-1-3-5-13)17-11-15(24)7-8-19(17)23-20/h1-12,24-25H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol?
2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol has a molecular weight of 331.35 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol is sourced from PubChem (CID 135454811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).