2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid

C16H15NO4 — CID 173358306

IUPAC2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1Oc1ccccc1C
InChIInChI=1S/C16H15NO4/c1-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)15(16(18)19)17-20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyQSLAVKPJMZJGIV-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.22
Rot. Bonds5

About 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid

2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid (PubChem CID 173358306) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
PubChem CID173358306
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1Oc1ccccc1C
InChIInChI=1S/C16H15NO4/c1-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)15(16(18)19)17-20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyQSLAVKPJMZJGIV-UHFFFAOYSA-N
XLogP3.22
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenyl)-2-methoxyiminoacetic acid
CID 56981988
2-(2-hydroxyphenyl)-2-methoxyiminoacetic acid
CID 135997752
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
2-[2-(bromomethyl)-3-methylphenyl]-2-methoxyiminoacetic acid
CID 150657532
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
CID 91067805
2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetic acid
CID 175357372
2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid (CID 173358306) is 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid is CON=C(C(=O)O)c1ccccc1Oc1ccccc1C.
What is the InChIKey of 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid?
The InChIKey is QSLAVKPJMZJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)15(16(18)19)17-20-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid?
2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 173358306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).