2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol

C24H18FNO3 — CID 166626695

IUPAC2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)cc3)n2)ccc1F
InChIInChI=1S/C24H18FNO3/c25-21-14-13-20(15-23(21)27)29-24-8-4-7-22(26-24)18-9-11-19(12-10-18)28-16-17-5-2-1-3-6-17/h1-15,27H,16H2
InChIKeyZYNUXXKMJZALMU-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.96
Rot. Bonds6

About 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol

2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166626695) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166626695
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)cc3)n2)ccc1F
InChIInChI=1S/C24H18FNO3/c25-21-14-13-20(15-23(21)27)29-24-8-4-7-22(26-24)18-9-11-19(12-10-18)28-16-17-5-2-1-3-6-17/h1-15,27H,16H2
InChIKeyZYNUXXKMJZALMU-UHFFFAOYSA-N
XLogP5.96
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol (CID 166626695) is 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol is Oc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)cc3)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is ZYNUXXKMJZALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-21-14-13-20(15-23(21)27)29-24-8-4-7-22(26-24)18-9-11-19(12-10-18)28-16-17-5-2-1-3-6-17/h1-15,27H,16H2.
What are the key properties of 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 387.41 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166626695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).