(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane

C82H72FN7O12 — CID 157071729

IUPAC(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane
SMILESC.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cc3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cn3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.[C-]#[N+]c1ccc(Oc2ccc(-c3cccc([C@@H](O)C(N)=O)n3)cc2)cc1
InChIInChI=1S/C21H19NO3.C20H16FNO3.C20H15N3O3.C20H18N2O3.CH4/c1-14-6-10-17(11-7-14)25-18-12-8-16(9-13-18)19-4-3-5-20(22-19)21(24)15(2)23;1-13(23)20(24)19-4-2-3-18(22-19)14-5-9-16(10-6-14)25-17-11-7-15(21)8-12-17;1-22-14-7-11-16(12-8-14)26-15-9-5-13(6-10-15)17-3-2-4-18(23-17)19(24)20(21)25;1-13-6-11-19(21-12-13)25-16-9-7-15(8-10-16)17-4-3-5-18(22-17)20(24)14(2)23;/h3-13,21,24H,1-2H3;2-12,20,24H,1H3;2-12,19,24H,(H2,21,25);3-12,20,24H,1-2H3;1H4/t21-;20-;19-;20-;/m0010./s1
InChIKeyACMXOIPQGLKUJP-IWTFTAIWSA-N
MW1366.51 g/mol
LogP16.89
Rot. Bonds20

About (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane

(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane (PubChem CID 157071729) has the molecular formula C82H72FN7O12 and a molecular weight of 1366.51 g/mol. Its IUPAC name is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane.

Molecular Properties

Compound Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane
PubChem CID157071729
Molecular FormulaC82H72FN7O12
Molecular Weight1366.51 g/mol
Exact Mass1365.52
IUPAC Name(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane
SMILESC.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cc3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cn3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.[C-]#[N+]c1ccc(Oc2ccc(-c3cccc([C@@H](O)C(N)=O)n3)cc2)cc1
InChIInChI=1S/C21H19NO3.C20H16FNO3.C20H15N3O3.C20H18N2O3.CH4/c1-14-6-10-17(11-7-14)25-18-12-8-16(9-13-18)19-4-3-5-20(22-19)21(24)15(2)23;1-13(23)20(24)19-4-2-3-18(22-19)14-5-9-16(10-6-14)25-17-11-7-15(21)8-12-17;1-22-14-7-11-16(12-8-14)26-15-9-5-13(6-10-15)17-3-2-4-18(23-17)19(24)20(21)25;1-13-6-11-19(21-12-13)25-16-9-7-15(8-10-16)17-4-3-5-18(22-17)20(24)14(2)23;/h3-13,21,24H,1-2H3;2-12,20,24H,1H3;2-12,19,24H,(H2,21,25);3-12,20,24H,1-2H3;1H4/t21-;20-;19-;20-;/m0010./s1
InChIKeyACMXOIPQGLKUJP-IWTFTAIWSA-N
XLogP16.89
TPSA280.95 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.51
LogP ≤ 516.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane?
The IUPAC name of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane (CID 157071729) is (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane.
What is the SMILES notation for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane?
The canonical SMILES for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane is C.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cc3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(C)cn3)cc2)n1.CC(=O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.[C-]#[N+]c1ccc(Oc2ccc(-c3cccc([C@@H](O)C(N)=O)n3)cc2)cc1.
What is the InChIKey of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane?
The InChIKey is ACMXOIPQGLKUJP-IWTFTAIWSA-N. The full InChI is InChI=1S/C21H19NO3.C20H16FNO3.C20H15N3O3.C20H18N2O3.CH4/c1-14-6-10-17(11-7-14)25-18-12-8-16(9-13-18)19-4-3-5-20(22-19)21(24)15(2)23;1-13(23)20(24)19-4-2-3-18(22-19)14-5-9-16(10-6-14)25-17-11-7-15(21)8-12-17;1-22-14-7-11-16(12-8-14)26-15-9-5-13(6-10-15)17-3-2-4-18(23-17)19(24)20(21)25;1-13-6-11-19(21-12-13)25-16-9-7-15(8-10-16)17-4-3-5-18(22-17)20(24)14(2)23;/h3-13,21,24H,1-2H3;2-12,20,24H,1H3;2-12,19,24H,(H2,21,25);3-12,20,24H,1-2H3;1H4/t21-;20-;19-;20-;/m0010./s1.
What are the key properties of (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane?
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane has a molecular weight of 1366.51 g/mol, XLogP of 16.89, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxypropan-2-one;(2R)-2-hydroxy-2-[6-[4-(4-isocyanophenoxy)phenyl]-2-pyridinyl]acetamide;(1R)-1-hydroxy-1-[6-[4-(4-methylphenoxy)phenyl]-2-pyridinyl]propan-2-one;(1R)-1-hydroxy-1-[6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]propan-2-one;methane is sourced from PubChem (CID 157071729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).