ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine

C19H26FNO — CID 143505536

IUPACethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
SMILESCC.COc1cc(F)c(C(C)C)cc1-c1ncc(C)cc1C
InChIInChI=1S/C17H20FNO.C2H6/c1-10(2)13-7-14(16(20-5)8-15(13)18)17-12(4)6-11(3)9-19-17;1-2/h6-10H,1-5H3;1-2H3
InChIKeyOPWZCVZEERZFRA-UHFFFAOYSA-N
MW303.42 g/mol
LogP5.66
Rot. Bonds3

About ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine

ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine (PubChem CID 143505536) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine.

Molecular Properties

Compound Nameethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
PubChem CID143505536
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Nameethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine
SMILESCC.COc1cc(F)c(C(C)C)cc1-c1ncc(C)cc1C
InChIInChI=1S/C17H20FNO.C2H6/c1-10(2)13-7-14(16(20-5)8-15(13)18)17-12(4)6-11(3)9-19-17;1-2/h6-10H,1-5H3;1-2H3
InChIKeyOPWZCVZEERZFRA-UHFFFAOYSA-N
XLogP5.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine?
The IUPAC name of ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine (CID 143505536) is ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine.
What is the SMILES notation for ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine?
The canonical SMILES for ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine is CC.COc1cc(F)c(C(C)C)cc1-c1ncc(C)cc1C.
What is the InChIKey of ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine?
The InChIKey is OPWZCVZEERZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.C2H6/c1-10(2)13-7-14(16(20-5)8-15(13)18)17-12(4)6-11(3)9-19-17;1-2/h6-10H,1-5H3;1-2H3.
What are the key properties of ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine?
ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine has a molecular weight of 303.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-3,5-dimethylpyridine is sourced from PubChem (CID 143505536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).