[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate

C16H15NO4 — CID 54120371

IUPAC[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate
SMILESCON=CC(=O)Oc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C16H15NO4/c1-12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(18)11-17-19-2/h3-11H,1-2H3
InChIKeyNNGQKLKIJGLFRQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.32
Rot. Bonds5

About [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate

[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate (PubChem CID 54120371) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate.

Molecular Properties

Compound Name[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate
PubChem CID54120371
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate
SMILESCON=CC(=O)Oc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C16H15NO4/c1-12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(18)11-17-19-2/h3-11H,1-2H3
InChIKeyNNGQKLKIJGLFRQ-UHFFFAOYSA-N
XLogP3.32
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.32
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-(3-methylphenoxy)phenol
CID 22051950
2-(3-methylphenoxy)benzamide
CID 70968841
[2-(3-propoxyphenoxy)phenyl] 3-methoxyprop-2-enoate
CID 67278932
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
CID 17393792
methyl 3-[4-(3-methylphenoxy)phenyl]prop-2-enoate
CID 123957503
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2,3-bis(3-methylphenoxy)phenol
CID 139940679
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide
CID 62999101

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate?
The IUPAC name of [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate (CID 54120371) is [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate.
What is the SMILES notation for [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate?
The canonical SMILES for [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate is CON=CC(=O)Oc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate?
The InChIKey is NNGQKLKIJGLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(18)11-17-19-2/h3-11H,1-2H3.
What are the key properties of [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate?
[2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate has a molecular weight of 285.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenoxy)phenyl] 2-methoxyiminoacetate is sourced from PubChem (CID 54120371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).