bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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

C162H189N9O27 — CID 158233833

IUPACbis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.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
InChIInChI=1S/9C18H21NO3/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;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15/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;4*3-9,12,14H,10-11,13H2,1-2H3
InChIKeyGESDHWMFNFCYMH-UHFFFAOYSA-N
MW2694.33 g/mol
LogP30.32
Rot. Bonds72

About bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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

bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 158233833) has the molecular formula C162H189N9O27 and a molecular weight of 2694.33 g/mol. Its IUPAC name is bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 Namebis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 CID158233833
Molecular FormulaC162H189N9O27
Molecular Weight2694.33 g/mol
Exact Mass2692.37
IUPAC Namebis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.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
InChIInChI=1S/9C18H21NO3/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;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15/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;4*3-9,12,14H,10-11,13H2,1-2H3
InChIKeyGESDHWMFNFCYMH-UHFFFAOYSA-N
XLogP30.32
TPSA435.78 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds72
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.33
LogP ≤ 530.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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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Launch Full Analysis

Related Compounds

butane;ethane;3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one
CID 171081807
1-[2-(4-pyridin-3-ylphenoxy)ethoxy]-3-sulfanylbutan-2-one
CID 135175624
3-(disulfanyl)-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one
CID 155215134
5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
CID 165000889
3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]but-3-en-2-one
CID 139356628
6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
CID 165079543
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-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 160941852
1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
CID 142368825
2-(3-phenyl-5-propan-2-ylphenyl)pyridine;3-(3-phenyl-5-propan-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine
CID 158633423
2,4-diphenyl-6-[4-(5-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-3-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-4-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(6-pyridin-2-yl-3-pyridinyl)naphthalen-1-yl]-1,3,5-triazine
CID 162259732

Frequently Asked Questions

What is the IUPAC name of bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 158233833) is bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.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.
What is the InChIKey of bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 GESDHWMFNFCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/9C18H21NO3/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;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15/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;4*3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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?
bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 2694.33 g/mol, XLogP of 30.32, 72 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(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 158233833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).