1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one

C143H173N7O24 — CID 157419598

IUPAC1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
SMILESCC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/7C18H21NO3.C17H26O3/c1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-13(2)16(18)12-19-10-11-20-15-8-6-14(7-9-15)17(3,4)5/h3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;6-9,13H,10-12H2,1-5H3
InChIKeyBPGDNPCHEYWJKT-UHFFFAOYSA-N
MW2373.98 g/mol
LogP27.19
Rot. Bonds63

About 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one

1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one (PubChem CID 157419598) has the molecular formula C143H173N7O24 and a molecular weight of 2373.98 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
PubChem CID157419598
Molecular FormulaC143H173N7O24
Molecular Weight2373.98 g/mol
Exact Mass2372.25
IUPAC Name1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
SMILESCC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/7C18H21NO3.C17H26O3/c1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-13(2)16(18)12-19-10-11-20-15-8-6-14(7-9-15)17(3,4)5/h3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;6-9,13H,10-12H2,1-5H3
InChIKeyBPGDNPCHEYWJKT-UHFFFAOYSA-N
XLogP27.19
TPSA374.47 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds63
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002373.98
LogP ≤ 527.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one (CID 157419598) is 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one is CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The InChIKey is BPGDNPCHEYWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/7C18H21NO3.C17H26O3/c1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-13(2)16(18)12-19-10-11-20-15-8-6-14(7-9-15)17(3,4)5/h3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one has a molecular weight of 2373.98 g/mol, XLogP of 27.19, 63 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethoxy]-3-methylbutan-2-one;3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one;3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one is sourced from PubChem (CID 157419598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).