1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one

C24H26FNO4 — CID 146576118

IUPAC1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
SMILESCOc1cc(=O)c(C)cn1-c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C
InChIInChI=1S/C24H26FNO4/c1-14-9-18(25)10-15(2)23(14)30-21-8-7-17(24(4,5)28)11-19(21)26-13-16(3)20(27)12-22(26)29-6/h7-13,28H,1-6H3
InChIKeyWZKMXRNXPLACIP-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.93
Rot. Bonds5

About 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one

1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one (PubChem CID 146576118) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
PubChem CID146576118
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
SMILESCOc1cc(=O)c(C)cn1-c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C
InChIInChI=1S/C24H26FNO4/c1-14-9-18(25)10-15(2)23(14)30-21-8-7-17(24(4,5)28)11-19(21)26-13-16(3)20(27)12-22(26)29-6/h7-13,28H,1-6H3
InChIKeyWZKMXRNXPLACIP-UHFFFAOYSA-N
XLogP4.93
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one?
The IUPAC name of 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one (CID 146576118) is 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one.
What is the SMILES notation for 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one?
The canonical SMILES for 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one is COc1cc(=O)c(C)cn1-c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C.
What is the InChIKey of 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one?
The InChIKey is WZKMXRNXPLACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-14-9-18(25)10-15(2)23(14)30-21-8-7-17(24(4,5)28)11-19(21)26-13-16(3)20(27)12-22(26)29-6/h7-13,28H,1-6H3.
What are the key properties of 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one?
1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one has a molecular weight of 411.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one is sourced from PubChem (CID 146576118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).