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

C18H13F2NO3 — CID 166635192

IUPAC2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c(F)c1
InChIInChI=1S/C18H13F2NO3/c1-23-11-5-7-13(15(20)9-11)16-3-2-4-18(21-16)24-12-6-8-14(19)17(22)10-12/h2-10,22H,1H3
InChIKeyKEUJZUFUGOLWID-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.53
Rot. Bonds4

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

2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166635192) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166635192
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c(F)c1
InChIInChI=1S/C18H13F2NO3/c1-23-11-5-7-13(15(20)9-11)16-3-2-4-18(21-16)24-12-6-8-14(19)17(22)10-12/h2-10,22H,1H3
InChIKeyKEUJZUFUGOLWID-UHFFFAOYSA-N
XLogP4.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.53
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-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol (CID 166635192) is 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol is COc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c(F)c1.
What is the InChIKey of 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is KEUJZUFUGOLWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c1-23-11-5-7-13(15(20)9-11)16-3-2-4-18(21-16)24-12-6-8-14(19)17(22)10-12/h2-10,22H,1H3.
What are the key properties of 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 329.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(2-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166635192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).