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

C17H17NO4 — CID 140999214

IUPAC2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid
SMILESCON=Cc1ccccc1C(Oc1ccccc1C)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-16(17(19)20)14-9-5-4-8-13(14)11-18-21-2/h3-11,16H,1-2H3,(H,19,20)
InChIKeyVGDKIBPSUNBNOL-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.18
Rot. Bonds6

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

2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid (PubChem CID 140999214) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid
PubChem CID140999214
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid
SMILESCON=Cc1ccccc1C(Oc1ccccc1C)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-16(17(19)20)14-9-5-4-8-13(14)11-18-21-2/h3-11,16H,1-2H3,(H,19,20)
InChIKeyVGDKIBPSUNBNOL-UHFFFAOYSA-N
XLogP3.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.18
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

(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
N-methoxy-1-(2-propan-2-yloxyphenyl)methanimine
CID 73094502
2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
CID 86749984
2-(2-methylphenoxy)-3-oxobutanoic acid
CID 14229589
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
2-bromo-2-(2-methylphenoxy)-1-phenylethanone
CID 21326049
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
S-[2-[(E)-methoxyiminomethyl]phenyl] N,N-dimethylcarbamothioate
CID 88689050
4-[(E)-[[(2R)-2-(2-methylphenoxy)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 39365688
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-(2-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112518216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid?
The IUPAC name of 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid (CID 140999214) is 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid?
The canonical SMILES for 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid is CON=Cc1ccccc1C(Oc1ccccc1C)C(=O)O.
What is the InChIKey of 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid?
The InChIKey is VGDKIBPSUNBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-16(17(19)20)14-9-5-4-8-13(14)11-18-21-2/h3-11,16H,1-2H3,(H,19,20).
What are the key properties of 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid?
2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid has a molecular weight of 299.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid is sourced from PubChem (CID 140999214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).