ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid

C25H29NO5 — CID 142024065

IUPACethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid
SMILESCC.Cc1cccc(COc2cccc(OCCc3ccccn3)c2)c1OCC(=O)O
InChIInChI=1S/C23H23NO5.C2H6/c1-17-6-4-7-18(23(17)29-16-22(25)26)15-28-21-10-5-9-20(14-21)27-13-11-19-8-2-3-12-24-19;1-2/h2-10,12,14H,11,13,15-16H2,1H3,(H,25,26);1-2H3
InChIKeySAXUETVWXJVKRB-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.08
Rot. Bonds10

About ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid

ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid (PubChem CID 142024065) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Nameethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid
PubChem CID142024065
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Nameethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid
SMILESCC.Cc1cccc(COc2cccc(OCCc3ccccn3)c2)c1OCC(=O)O
InChIInChI=1S/C23H23NO5.C2H6/c1-17-6-4-7-18(23(17)29-16-22(25)26)15-28-21-10-5-9-20(14-21)27-13-11-19-8-2-3-12-24-19;1-2/h2-10,12,14H,11,13,15-16H2,1H3,(H,25,26);1-2H3
InChIKeySAXUETVWXJVKRB-UHFFFAOYSA-N
XLogP5.08
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22241542
2-[2-methyl-6-[[3-(quinoline-2-carbonyloxy)phenoxy]methyl]phenoxy]acetic acid
CID 22241544
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid
CID 61058458
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid?
The IUPAC name of ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid (CID 142024065) is ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid.
What is the SMILES notation for ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid?
The canonical SMILES for ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid is CC.Cc1cccc(COc2cccc(OCCc3ccccn3)c2)c1OCC(=O)O.
What is the InChIKey of ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid?
The InChIKey is SAXUETVWXJVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5.C2H6/c1-17-6-4-7-18(23(17)29-16-22(25)26)15-28-21-10-5-9-20(14-21)27-13-11-19-8-2-3-12-24-19;1-2/h2-10,12,14H,11,13,15-16H2,1H3,(H,25,26);1-2H3.
What are the key properties of ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid?
ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid has a molecular weight of 423.51 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-methyl-6-[[3-(2-pyridin-2-ylethoxy)phenoxy]methyl]phenoxy]acetic acid is sourced from PubChem (CID 142024065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).