methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate

C17H17NO4 — CID 85386374

IUPACmethyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
SMILESCOC(=O)C(=NO)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(18-20)17(19)21-2/h3-10,20H,11H2,1-2H3
InChIKeyNNHDCYABCHZSQT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate

methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate (PubChem CID 85386374) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
PubChem CID85386374
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
SMILESCOC(=O)C(=NO)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(18-20)17(19)21-2/h3-10,20H,11H2,1-2H3
InChIKeyNNHDCYABCHZSQT-UHFFFAOYSA-N
XLogP2.93
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
zinc;manganese(2+);methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 173179399
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 172989196
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
(1E)-3-hydroxy-1-methoxyimino-1-[2-[(2-methylphenoxy)methyl]phenyl]propan-2-one;iodoform
CID 172949121
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate (CID 85386374) is methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate is COC(=O)C(=NO)c1ccccc1COc1ccccc1C.
What is the InChIKey of methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate?
The InChIKey is NNHDCYABCHZSQT-UHFFFAOYSA-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(18-20)17(19)21-2/h3-10,20H,11H2,1-2H3.
What are the key properties of methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate?
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate has a molecular weight of 299.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 85386374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).