2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid

C26H27NO6 — CID 58629810

IUPAC2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid
SMILESCCOCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C26H27NO6/c1-4-31-15-25(33-21-12-13-24(17(2)14-21)32-16-26(29)30)23-7-5-6-22(27-23)20-10-8-19(9-11-20)18(3)28/h5-14,25H,4,15-16H2,1-3H3,(H,29,30)
InChIKeyMBBXPSJABHZNDQ-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.88
Rot. Bonds11

About 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid

2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid (PubChem CID 58629810) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid
PubChem CID58629810
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid
SMILESCCOCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C26H27NO6/c1-4-31-15-25(33-21-12-13-24(17(2)14-21)32-16-26(29)30)23-7-5-6-22(27-23)20-10-8-19(9-11-20)18(3)28/h5-14,25H,4,15-16H2,1-3H3,(H,29,30)
InChIKeyMBBXPSJABHZNDQ-UHFFFAOYSA-N
XLogP4.88
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1S)-2-ethoxy-1-[6-(4-methoxyphenyl)-2-pyridinyl]ethoxy]-2-methylphenyl] acetate
CID 90799911
2-[2-methyl-4-[(1S)-1-[6-(4-prop-1-en-2-ylphenyl)-2-pyridinyl]pentoxy]phenoxy]acetic acid
CID 89319005
2-[4-[(1R)-1-[6-(4-cyano-2-methylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid
CID 10095097
[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]pentoxy]-2-methylphenyl] acetate
CID 90968659
3-[2-methyl-4-[1-[6-(4-prop-1-en-2-ylphenyl)-2-pyridinyl]pentoxy]phenoxy]prop-1-en-2-ol
CID 89319004
2-[4-[1-[6-(4-acetyl-3-methoxyphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid;butane
CID 160899507
3-[4-[(1S)-1-[6-(4-chlorophenyl)-2-pyridinyl]pentoxy]-2-methylphenoxy]prop-1-en-2-ol
CID 89319108
ethyl 2-[2-methyl-4-[3-methyl-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]butoxy]phenoxy]acetate
CID 58629882
ethyl 2-[4-[2-tert-butylsulfanyloxy-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethoxy]-2-methylphenoxy]acetate;propane
CID 142844389
[4-[(1S)-1-(6-bromo-2-pyridinyl)-2-ethoxyethoxy]-2-methylphenyl] butaneperoxoate
CID 91603326
3-[2-methyl-4-[(1R)-1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenyl]propanoic acid
CID 69211889
ethyl 2-[4-[1-(6-bromo-2-pyridinyl)-2-propan-2-ylsulfanyloxyethoxy]-2-methylphenoxy]acetate
CID 142844379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid (CID 58629810) is 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid is CCOCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid?
The InChIKey is MBBXPSJABHZNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-4-31-15-25(33-21-12-13-24(17(2)14-21)32-16-26(29)30)23-7-5-6-22(27-23)20-10-8-19(9-11-20)18(3)28/h5-14,25H,4,15-16H2,1-3H3,(H,29,30).
What are the key properties of 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid?
2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid has a molecular weight of 449.50 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[6-(4-acetylphenyl)-2-pyridinyl]-2-ethoxyethoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 58629810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).