2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid

C15H15NO4 — CID 80741526

IUPAC2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
SMILESCOc1ncccc1COc1ccccc1CC(=O)O
InChIInChI=1S/C15H15NO4/c1-19-15-12(6-4-8-16-15)10-20-13-7-3-2-5-11(13)9-14(17)18/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyOHIYJAGOBLYYGN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid

2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid (PubChem CID 80741526) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
PubChem CID80741526
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
SMILESCOc1ncccc1COc1ccccc1CC(=O)O
InChIInChI=1S/C15H15NO4/c1-19-15-12(6-4-8-16-15)10-20-13-7-3-2-5-11(13)9-14(17)18/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyOHIYJAGOBLYYGN-UHFFFAOYSA-N
XLogP2.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
CID 22363173
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
2-[(2-methoxyphenyl)methoxy]pyridin-3-amine
CID 117096182
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid (CID 80741526) is 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid is COc1ncccc1COc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid?
The InChIKey is OHIYJAGOBLYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-15-12(6-4-8-16-15)10-20-13-7-3-2-5-11(13)9-14(17)18/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid?
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 80741526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).