4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol

C32H21FN2O4 — CID 19078925

IUPAC4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol
SMILESOc1ccc(Oc2ccccc2-c2nc3cccc(F)c3nc2-c2ccccc2Oc2ccc(O)cc2)cc1
InChIInChI=1S/C32H21FN2O4/c33-26-8-5-9-27-32(26)35-31(25-7-2-4-11-29(25)39-23-18-14-21(37)15-19-23)30(34-27)24-6-1-3-10-28(24)38-22-16-12-20(36)13-17-22/h1-19,36-37H
InChIKeyPUOPSHQDCQSGFL-UHFFFAOYSA-N
MW516.53 g/mol
LogP8.10
Rot. Bonds6

About 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol

4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol (PubChem CID 19078925) has the molecular formula C32H21FN2O4 and a molecular weight of 516.53 g/mol. Its IUPAC name is 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol.

Molecular Properties

Compound Name4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol
PubChem CID19078925
Molecular FormulaC32H21FN2O4
Molecular Weight516.53 g/mol
Exact Mass516.15
IUPAC Name4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol
SMILESOc1ccc(Oc2ccccc2-c2nc3cccc(F)c3nc2-c2ccccc2Oc2ccc(O)cc2)cc1
InChIInChI=1S/C32H21FN2O4/c33-26-8-5-9-27-32(26)35-31(25-7-2-4-11-29(25)39-23-18-14-21(37)15-19-23)30(34-27)24-6-1-3-10-28(24)38-22-16-12-20(36)13-17-22/h1-19,36-37H
InChIKeyPUOPSHQDCQSGFL-UHFFFAOYSA-N
XLogP8.10
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.53
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol?
The IUPAC name of 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol (CID 19078925) is 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol.
What is the SMILES notation for 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol?
The canonical SMILES for 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol is Oc1ccc(Oc2ccccc2-c2nc3cccc(F)c3nc2-c2ccccc2Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol?
The InChIKey is PUOPSHQDCQSGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN2O4/c33-26-8-5-9-27-32(26)35-31(25-7-2-4-11-29(25)39-23-18-14-21(37)15-19-23)30(34-27)24-6-1-3-10-28(24)38-22-16-12-20(36)13-17-22/h1-19,36-37H.
What are the key properties of 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol?
4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol has a molecular weight of 516.53 g/mol, XLogP of 8.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-fluoro-3-[2-(4-hydroxyphenoxy)phenyl]quinoxalin-2-yl]phenoxy]phenol is sourced from PubChem (CID 19078925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).