2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol

C30H33F3N2O4 — CID 158948033

IUPAC2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol
SMILESCCCc1ccc(O)c(OC)c1.CCCc1ccc(Oc2cccc(F)n2)c(OC)c1.Fc1cccc(F)n1
InChIInChI=1S/C15H16FNO2.C10H14O2.C5H3F2N/c1-3-5-11-8-9-12(13(10-11)18-2)19-15-7-4-6-14(16)17-15;1-3-4-8-5-6-9(11)10(7-8)12-2;6-4-2-1-3-5(7)8-4/h4,6-10H,3,5H2,1-2H3;5-7,11H,3-4H2,1-2H3;1-3H
InChIKeyJLBMWXHBKZXSAA-UHFFFAOYSA-N
MW542.60 g/mol
LogP7.69
Rot. Bonds8

About 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol

2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol (PubChem CID 158948033) has the molecular formula C30H33F3N2O4 and a molecular weight of 542.60 g/mol. Its IUPAC name is 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol.

Molecular Properties

Compound Name2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol
PubChem CID158948033
Molecular FormulaC30H33F3N2O4
Molecular Weight542.60 g/mol
Exact Mass542.24
IUPAC Name2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol
SMILESCCCc1ccc(O)c(OC)c1.CCCc1ccc(Oc2cccc(F)n2)c(OC)c1.Fc1cccc(F)n1
InChIInChI=1S/C15H16FNO2.C10H14O2.C5H3F2N/c1-3-5-11-8-9-12(13(10-11)18-2)19-15-7-4-6-14(16)17-15;1-3-4-8-5-6-9(11)10(7-8)12-2;6-4-2-1-3-5(7)8-4/h4,6-10H,3,5H2,1-2H3;5-7,11H,3-4H2,1-2H3;1-3H
InChIKeyJLBMWXHBKZXSAA-UHFFFAOYSA-N
XLogP7.69
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
acetic acid;5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol;[5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenyl] acetate;methane
CID 159307122
2-[(2,6-difluoro-4-pyridinyl)oxy]-5-propylphenol
CID 59191359
[4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxyphenyl]methanol
CID 107745044
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-butyl-6-(4-ethyl-2-methoxyphenoxy)pyridin-2-amine
CID 24786193
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
CID 172871341
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
CID 163016012

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol?
The IUPAC name of 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol (CID 158948033) is 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol.
What is the SMILES notation for 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol?
The canonical SMILES for 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol is CCCc1ccc(O)c(OC)c1.CCCc1ccc(Oc2cccc(F)n2)c(OC)c1.Fc1cccc(F)n1.
What is the InChIKey of 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol?
The InChIKey is JLBMWXHBKZXSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2.C10H14O2.C5H3F2N/c1-3-5-11-8-9-12(13(10-11)18-2)19-15-7-4-6-14(16)17-15;1-3-4-8-5-6-9(11)10(7-8)12-2;6-4-2-1-3-5(7)8-4/h4,6-10H,3,5H2,1-2H3;5-7,11H,3-4H2,1-2H3;1-3H.
What are the key properties of 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol?
2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol has a molecular weight of 542.60 g/mol, XLogP of 7.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyridine;2-fluoro-6-(2-methoxy-4-propylphenoxy)pyridine;2-methoxy-4-propylphenol is sourced from PubChem (CID 158948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).