2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid

C21H17NO4 — CID 10783842

IUPAC2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C(\c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(24)15-25-22-21(16-9-3-1-4-10-16)18-13-7-8-14-19(18)26-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)/b22-21+
InChIKeyHSFQXVUCYCMCQH-QURGRASLSA-N
MW347.37 g/mol
LogP4.33
Rot. Bonds7

About 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid

2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid (PubChem CID 10783842) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid
PubChem CID10783842
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid
SMILESO=C(O)CO/N=C(\c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(24)15-25-22-21(16-9-3-1-4-10-16)18-13-7-8-14-19(18)26-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)/b22-21+
InChIKeyHSFQXVUCYCMCQH-QURGRASLSA-N
XLogP4.33
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyethaneperoxoate
CID 10740769
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
benzoic acid;2-phenoxybenzoic acid
CID 160712085
4-oxo-4-(2-phenoxyphenyl)butanoic acid
CID 11536339
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
CID 139059157
2-ethoxyimino-2-(2-phenoxyphenyl)acetamide
CID 73413307
phenyl 2-phenoxybenzoate
CID 2471273
2-(4-phenoxyphenoxy)benzoate
CID 6946814
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
bis[(2-phenoxybenzoyl)diazenyl] carbonate
CID 68570773

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid (CID 10783842) is 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid is O=C(O)CO/N=C(\c1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid?
The InChIKey is HSFQXVUCYCMCQH-QURGRASLSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(24)15-25-22-21(16-9-3-1-4-10-16)18-13-7-8-14-19(18)26-17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)/b22-21+.
What are the key properties of 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid?
2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid has a molecular weight of 347.37 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-phenoxyphenyl)-phenylmethylidene]amino]oxyacetic acid is sourced from PubChem (CID 10783842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).