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

C17H17NO4 — CID 15300765

IUPAC(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid
SMILESCO/N=C(\C(=O)O)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16-
InChIKeyLXOPDEDFRXZTNO-VLGSPTGOSA-N
MW299.33 g/mol
LogP3.01
Rot. Bonds6

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

(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid (PubChem CID 15300765) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid
PubChem CID15300765
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid
SMILESCO/N=C(\C(=O)O)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16-
InChIKeyLXOPDEDFRXZTNO-VLGSPTGOSA-N
XLogP3.01
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 ≤ 53.01
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

Kresoxim-Methyl
CID 6112114
Kresoxym-methyl
CID 5483874
2-(2-(2-Methylphenoxy)methyl)-phenyl-2-(methoxyimido)acetic acid
CID 20055208
(E)-2-((2-(Carboxy(methoxyimino)methyl)benzyl)oxy)benzoic acid
CID 132275352
(4Z)-4-[4-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46216831
(4Z)-4-[4-[(E)-1-(3-methoxy-4-methylphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46216832
methyl (2E)-2-[2-[[3-[(4-ethenylphenyl)methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137640646
methyl (2E)-2-[2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137660764
methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22970306
methyl (2E)-2-methoxyimino-2-[2-[[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenoxy]methyl]phenyl]acetate
CID 137640936
alpha-(Methoxyimino)-2-{(2-methylphenoxy)methyl}-benzeneacetic acid (E)-methyl ester
CID 86438
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-phenylpropanoic acid
CID 118726812

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid (CID 15300765) is (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid is CO/N=C(\C(=O)O)c1ccccc1COc1ccccc1C.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid?
The InChIKey is LXOPDEDFRXZTNO-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16-.
What are the key properties of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid?
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 15300765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).