(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid

C15H13NO3 — CID 6163621

IUPAC(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid
SMILESO=C(O)/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(18)14(13-9-5-2-6-10-13)16-19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)/b16-14-
InChIKeyGYJYAFJFRHNIBI-PEZBUJJGSA-N
MW255.27 g/mol
LogP2.69
Rot. Bonds5

About (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid

(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid (PubChem CID 6163621) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid
PubChem CID6163621
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid
SMILESO=C(O)/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(18)14(13-9-5-2-6-10-13)16-19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)/b16-14-
InChIKeyGYJYAFJFRHNIBI-PEZBUJJGSA-N
XLogP2.69
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6416112
(2E)-2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 139594939
(2Z)-2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 162396683
(2e)-2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6399465
Acetophenone o-benzoyloxime
CID 5900887
5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 13081532
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742
4-[(5-Oxo-3-phenylisoxazol-4-ylidene)methyl]benzoic acid
CID 5286131
(Benzhydrylideneamino) benzoate
CID 243495
[(Z)-[cyano(phenyl)methylidene]amino] benzoate
CID 11637397
2-Hydroxyimino-3-phenylpropanoic acid
CID 6834298
2-[3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]propanoic acid
CID 11851123

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid?
The IUPAC name of (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid (CID 6163621) is (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid is O=C(O)/C(=N\OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid?
The InChIKey is GYJYAFJFRHNIBI-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)14(13-9-5-2-6-10-13)16-19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)/b16-14-.
What are the key properties of (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid?
(2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-phenyl-2-phenylmethoxyiminoacetic acid is sourced from PubChem (CID 6163621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).