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

C18H14FNO3 — CID 166633412

IUPAC2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)cc1
InChIInChI=1S/C18H14FNO3/c1-22-13-7-5-12(6-8-13)16-3-2-4-18(20-16)23-14-9-10-15(19)17(21)11-14/h2-11,21H,1H3
InChIKeyBBSJKUKMWOSKBS-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.39
Rot. Bonds4

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

2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166633412) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166633412
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)cc1
InChIInChI=1S/C18H14FNO3/c1-22-13-7-5-12(6-8-13)16-3-2-4-18(20-16)23-14-9-10-15(19)17(21)11-14/h2-11,21H,1H3
InChIKeyBBSJKUKMWOSKBS-UHFFFAOYSA-N
XLogP4.39
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.39
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-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol (CID 166633412) is 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol is COc1ccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)cc1.
What is the InChIKey of 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is BBSJKUKMWOSKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-22-13-7-5-12(6-8-13)16-3-2-4-18(20-16)23-14-9-10-15(19)17(21)11-14/h2-11,21H,1H3.
What are the key properties of 2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 311.31 g/mol, XLogP of 4.39, 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-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).