methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate

C17H17NO5 — CID 22970306

IUPACmethyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1cccc(O)c1
InChIInChI=1S/C17H17NO5/c1-21-17(20)16(18-22-2)15-9-4-3-6-12(15)11-23-14-8-5-7-13(19)10-14/h3-10,19H,11H2,1-2H3/b18-16+
InChIKeyWKBUTPWSBVPMOQ-FBMGVBCBSA-N
MW315.33 g/mol
LogP2.49
Rot. Bonds6

About methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate (PubChem CID 22970306) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate
PubChem CID22970306
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1cccc(O)c1
InChIInChI=1S/C17H17NO5/c1-21-17(20)16(18-22-2)15-9-4-3-6-12(15)11-23-14-8-5-7-13(19)10-14/h3-10,19H,11H2,1-2H3/b18-16+
InChIKeyWKBUTPWSBVPMOQ-FBMGVBCBSA-N
XLogP2.49
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
(alphaE)-alpha-(Methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneaceticAcid
CID 15300765
(E)-2-((2-(Carboxy(methoxyimino)methyl)benzyl)oxy)benzoic acid
CID 132275352
methyl (2E)-2-[2-[[3-[(4-ethenylphenyl)methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137640646
methyl (2E)-2-[2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137643513
methyl (2E)-2-[2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137660764
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
methyl (2E)-2-methoxyimino-2-[2-[(3-phenylmethoxyphenoxy)methyl]phenyl]acetate
CID 137633266
methyl (2E)-2-methoxyimino-2-[2-[[3-[(E)-methoxyiminomethyl]phenoxy]methyl]phenyl]acetate
CID 137659032

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate (CID 22970306) is methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1ccccc1COc1cccc(O)c1.
What is the InChIKey of methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The InChIKey is WKBUTPWSBVPMOQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-17(20)16(18-22-2)15-9-4-3-6-12(15)11-23-14-8-5-7-13(19)10-14/h3-10,19H,11H2,1-2H3/b18-16+.
What are the key properties of methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate has a molecular weight of 315.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 22970306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).