3-[(E)-benzylideneamino]oxybenzoic acid

C14H11NO3 — CID 11333939

IUPAC3-[(E)-benzylideneamino]oxybenzoic acid
SMILESO=C(O)c1cccc(O/N=C/c2ccccc2)c1
InChIInChI=1S/C14H11NO3/c16-14(17)12-7-4-8-13(9-12)18-15-10-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b15-10+
InChIKeyXZFYAQNNFXYDTH-XNTDXEJSSA-N
MW241.25 g/mol
LogP2.80
Rot. Bonds4

About 3-[(E)-benzylideneamino]oxybenzoic acid

3-[(E)-benzylideneamino]oxybenzoic acid (PubChem CID 11333939) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(E)-benzylideneamino]oxybenzoic acid.

Molecular Properties

Compound Name3-[(E)-benzylideneamino]oxybenzoic acid
PubChem CID11333939
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-[(E)-benzylideneamino]oxybenzoic acid
SMILESO=C(O)c1cccc(O/N=C/c2ccccc2)c1
InChIInChI=1S/C14H11NO3/c16-14(17)12-7-4-8-13(9-12)18-15-10-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b15-10+
InChIKeyXZFYAQNNFXYDTH-XNTDXEJSSA-N
XLogP2.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.80
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'}

Analyze 3-[(E)-benzylideneamino]oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
ethane;3-(methylideneamino)oxybenzoic acid
CID 144619463
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11162667
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N-(benzylideneamino)oxybenzamide
CID 54442905
3-(2-bromoethenyl)benzoic acid
CID 151248021
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
3-naphthalen-2-yloxybenzoic acid
CID 10587676
4-[(E)-benzylideneamino]oxybenzonitrile
CID 24974418

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-benzylideneamino]oxybenzoic acid?
The IUPAC name of 3-[(E)-benzylideneamino]oxybenzoic acid (CID 11333939) is 3-[(E)-benzylideneamino]oxybenzoic acid.
What is the SMILES notation for 3-[(E)-benzylideneamino]oxybenzoic acid?
The canonical SMILES for 3-[(E)-benzylideneamino]oxybenzoic acid is O=C(O)c1cccc(O/N=C/c2ccccc2)c1.
What is the InChIKey of 3-[(E)-benzylideneamino]oxybenzoic acid?
The InChIKey is XZFYAQNNFXYDTH-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)12-7-4-8-13(9-12)18-15-10-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b15-10+.
What are the key properties of 3-[(E)-benzylideneamino]oxybenzoic acid?
3-[(E)-benzylideneamino]oxybenzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzylideneamino]oxybenzoic acid is sourced from PubChem (CID 11333939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).