2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol

C14H13F2NO2 — CID 59191359

IUPAC2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol
SMILESCCCc1ccc(Oc2cc(F)nc(F)c2)c(O)c1
InChIInChI=1S/C14H13F2NO2/c1-2-3-9-4-5-12(11(18)6-9)19-10-7-13(15)17-14(16)8-10/h4-8,18H,2-3H2,1H3
InChIKeyTWNRQWPXZZBWJA-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.81
Rot. Bonds4

About 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol

2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol (PubChem CID 59191359) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol.

Molecular Properties

Compound Name2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol
PubChem CID59191359
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol
SMILESCCCc1ccc(Oc2cc(F)nc(F)c2)c(O)c1
InChIInChI=1S/C14H13F2NO2/c1-2-3-9-4-5-12(11(18)6-9)19-10-7-13(15)17-14(16)8-10/h4-8,18H,2-3H2,1H3
InChIKeyTWNRQWPXZZBWJA-UHFFFAOYSA-N
XLogP3.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol
CID 158948033
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
2-ethyl-5-propylphenol
CID 522454
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
2-[[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxy]-5-propylphenol
CID 59191270
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
2-[(6-amino-3-pyridinyl)oxy]-5-propylphenol;[2-[[6-(methylsulfonylmethyl)-3-pyridinyl]oxy]-5-propylphenyl] methanesulfonate
CID 162075488
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol?
The IUPAC name of 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol (CID 59191359) is 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol.
What is the SMILES notation for 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol?
The canonical SMILES for 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol is CCCc1ccc(Oc2cc(F)nc(F)c2)c(O)c1.
What is the InChIKey of 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol?
The InChIKey is TWNRQWPXZZBWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-2-3-9-4-5-12(11(18)6-9)19-10-7-13(15)17-14(16)8-10/h4-8,18H,2-3H2,1H3.
What are the key properties of 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol?
2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol has a molecular weight of 265.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol is sourced from PubChem (CID 59191359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).