[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate

C19H21NO4 — CID 54072573

IUPAC[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate
SMILESCON=C(C)C(=O)Oc1ccccc1COc1cccc(C)c1C
InChIInChI=1S/C19H21NO4/c1-13-8-7-11-17(14(13)2)23-12-16-9-5-6-10-18(16)24-19(21)15(3)20-22-4/h5-11H,12H2,1-4H3
InChIKeyMHMBUJOZDBQSOK-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.81
Rot. Bonds6

About [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate

[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate (PubChem CID 54072573) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate
PubChem CID54072573
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate
SMILESCON=C(C)C(=O)Oc1ccccc1COc1cccc(C)c1C
InChIInChI=1S/C19H21NO4/c1-13-8-7-11-17(14(13)2)23-12-16-9-5-6-10-18(16)24-19(21)15(3)20-22-4/h5-11H,12H2,1-4H3
InChIKeyMHMBUJOZDBQSOK-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-dimethylphenoxy)methyl]phenyl] 2-methoxyiminobutanoate
CID 54211670
[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl] (2E)-2-methoxyiminopropanoate
CID 142779229
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 22356632
[2-[(2,4,5-trimethylphenoxy)methyl]phenyl] methylsulfanylformate
CID 122646282
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
2-[(2,3-dimethylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168712
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate?
The IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate (CID 54072573) is [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate.
What is the SMILES notation for [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate?
The canonical SMILES for [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate is CON=C(C)C(=O)Oc1ccccc1COc1cccc(C)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate?
The InChIKey is MHMBUJOZDBQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-8-7-11-17(14(13)2)23-12-16-9-5-6-10-18(16)24-19(21)15(3)20-22-4/h5-11H,12H2,1-4H3.
What are the key properties of [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate?
[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate has a molecular weight of 327.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate is sourced from PubChem (CID 54072573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).