2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol

C24H17F2NO3 — CID 166630900

IUPAC2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2)ccc1F
InChIInChI=1S/C24H17F2NO3/c25-19-11-10-18(14-22(19)28)30-24-8-4-7-21(27-24)17-9-12-23(20(26)13-17)29-15-16-5-2-1-3-6-16/h1-14,28H,15H2
InChIKeyWCLWJKJUOIKYSG-UHFFFAOYSA-N
MW405.40 g/mol
LogP6.10
Rot. Bonds6

About 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol

2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166630900) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166630900
Molecular FormulaC24H17F2NO3
Molecular Weight405.40 g/mol
Exact Mass405.12
IUPAC Name2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2)ccc1F
InChIInChI=1S/C24H17F2NO3/c25-19-11-10-18(14-22(19)28)30-24-8-4-7-21(27-24)17-9-12-23(20(26)13-17)29-15-16-5-2-1-3-6-16/h1-14,28H,15H2
InChIKeyWCLWJKJUOIKYSG-UHFFFAOYSA-N
XLogP6.10
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol (CID 166630900) is 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol is Oc1cc(Oc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is WCLWJKJUOIKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c25-19-11-10-18(14-22(19)28)30-24-8-4-7-21(27-24)17-9-12-23(20(26)13-17)29-15-16-5-2-1-3-6-16/h1-14,28H,15H2.
What are the key properties of 2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 405.40 g/mol, XLogP of 6.10, 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-(3-fluoro-4-phenylmethoxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166630900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).