methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate

C18H19NO4 — CID 139669245

IUPACmethyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
SMILESCON=C(C(=O)OC)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C18H19NO4/c1-13-6-4-5-7-16(13)23-12-14-8-10-15(11-9-14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3
InChIKeyMJMTUMYSEDTUEK-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.10
Rot. Bonds6

About methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate

methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate (PubChem CID 139669245) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
PubChem CID139669245
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate
SMILESCON=C(C(=O)OC)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C18H19NO4/c1-13-6-4-5-7-16(13)23-12-14-8-10-15(11-9-14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3
InChIKeyMJMTUMYSEDTUEK-UHFFFAOYSA-N
XLogP3.10
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
2-methoxyimino-2-[3-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54494590
2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 91501205
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
zinc;manganese(2+);methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 173179399
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate (CID 139669245) is methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate is CON=C(C(=O)OC)c1ccc(COc2ccccc2C)cc1.
What is the InChIKey of methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate?
The InChIKey is MJMTUMYSEDTUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-6-4-5-7-16(13)23-12-14-8-10-15(11-9-14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3.
What are the key properties of methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate?
methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate has a molecular weight of 313.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyimino-2-[4-[(2-methylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 139669245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).