methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate

C19H21NO4 — CID 15346094

IUPACmethyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H21NO4/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(20-23-4)19(21)22-3/h5-11H,12H2,1-4H3/b20-18+
InChIKeyWNPSUZXQGSLQCF-CZIZESTLSA-N
MW327.38 g/mol
LogP3.41
Rot. Bonds6

About methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate (PubChem CID 15346094) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
PubChem CID15346094
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H21NO4/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(20-23-4)19(21)22-3/h5-11H,12H2,1-4H3/b20-18+
InChIKeyWNPSUZXQGSLQCF-CZIZESTLSA-N
XLogP3.41
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate (CID 15346094) is methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The InChIKey is WNPSUZXQGSLQCF-CZIZESTLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(20-23-4)19(21)22-3/h5-11H,12H2,1-4H3/b20-18+.
What are the key properties of methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate has a molecular weight of 327.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 15346094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).