methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate

C15H13NO4 — CID 22344585

IUPACmethyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
SMILESCOC(=O)/C(=N/O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13NO4/c1-19-15(17)14(16-18)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10,18H,1H3/b16-14+
InChIKeyJYZQJWRYRVJMGN-JQIJEIRASA-N
MW271.27 g/mol
LogP2.83
Rot. Bonds4

About methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate

methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate (PubChem CID 22344585) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
PubChem CID22344585
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
SMILESCOC(=O)/C(=N/O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13NO4/c1-19-15(17)14(16-18)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10,18H,1H3/b16-14+
InChIKeyJYZQJWRYRVJMGN-JQIJEIRASA-N
XLogP2.83
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.83
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

N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
CID 149187727
N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 135923638
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate?
The IUPAC name of methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate (CID 22344585) is methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate.
What is the SMILES notation for methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate?
The canonical SMILES for methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate is COC(=O)/C(=N/O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate?
The InChIKey is JYZQJWRYRVJMGN-JQIJEIRASA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-15(17)14(16-18)11-6-5-9-13(10-11)20-12-7-3-2-4-8-12/h2-10,18H,1H3/b16-14+.
What are the key properties of methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate?
methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate has a molecular weight of 271.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate is sourced from PubChem (CID 22344585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).