3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid

C24H25NO4 — CID 90644298

IUPAC3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-16-6-4-7-17(2)23(16)20-9-5-8-19(12-20)15-29-22-11-10-18(14-25-22)13-21(28-3)24(26)27/h4-12,14,21H,13,15H2,1-3H3,(H,26,27)
InChIKeyXLGGWUXDDUZNHG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.59
Rot. Bonds8

About 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid

3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid (PubChem CID 90644298) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid
PubChem CID90644298
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-16-6-4-7-17(2)23(16)20-9-5-8-19(12-20)15-29-22-11-10-18(14-25-22)13-21(28-3)24(26)27/h4-12,14,21H,13,15H2,1-3H3,(H,26,27)
InChIKeyXLGGWUXDDUZNHG-UHFFFAOYSA-N
XLogP4.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid?
The IUPAC name of 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid (CID 90644298) is 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid?
The canonical SMILES for 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid is COC(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1)C(=O)O.
What is the InChIKey of 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid?
The InChIKey is XLGGWUXDDUZNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-6-4-7-17(2)23(16)20-9-5-8-19(12-20)15-29-22-11-10-18(14-25-22)13-21(28-3)24(26)27/h4-12,14,21H,13,15H2,1-3H3,(H,26,27).
What are the key properties of 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid?
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid has a molecular weight of 391.47 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methoxypropanoic acid is sourced from PubChem (CID 90644298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).