2-[(E)-phenylmethoxyiminomethyl]benzoic acid

C15H13NO3 — CID 46567047

IUPAC2-[(E)-phenylmethoxyiminomethyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/OCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(18)14-9-5-4-8-13(14)10-16-19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)/b16-10+
InChIKeyCTJRXDIUONEWDL-MHWRWJLKSA-N
MW255.27 g/mol
LogP2.94
Rot. Bonds5

About 2-[(E)-phenylmethoxyiminomethyl]benzoic acid

2-[(E)-phenylmethoxyiminomethyl]benzoic acid (PubChem CID 46567047) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(E)-phenylmethoxyiminomethyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-phenylmethoxyiminomethyl]benzoic acid
PubChem CID46567047
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[(E)-phenylmethoxyiminomethyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/OCc1ccccc1
InChIInChI=1S/C15H13NO3/c17-15(18)14-9-5-4-8-13(14)10-16-19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)/b16-10+
InChIKeyCTJRXDIUONEWDL-MHWRWJLKSA-N
XLogP2.94
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 ≤ 52.94
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 2-[(E)-phenylmethoxyiminomethyl]benzoic 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

trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
CID 177433206
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
benzyl 2-[(E)-hydrazinylidenemethyl]benzoate
CID 145402503
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
2-phenylmethoxyiminoacetaldehyde
CID 56611193
methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905552
2-ethenylbenzoic acid;europium
CID 174925184

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-phenylmethoxyiminomethyl]benzoic acid?
The IUPAC name of 2-[(E)-phenylmethoxyiminomethyl]benzoic acid (CID 46567047) is 2-[(E)-phenylmethoxyiminomethyl]benzoic acid.
What is the SMILES notation for 2-[(E)-phenylmethoxyiminomethyl]benzoic acid?
The canonical SMILES for 2-[(E)-phenylmethoxyiminomethyl]benzoic acid is O=C(O)c1ccccc1/C=N/OCc1ccccc1.
What is the InChIKey of 2-[(E)-phenylmethoxyiminomethyl]benzoic acid?
The InChIKey is CTJRXDIUONEWDL-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)14-9-5-4-8-13(14)10-16-19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)/b16-10+.
What are the key properties of 2-[(E)-phenylmethoxyiminomethyl]benzoic acid?
2-[(E)-phenylmethoxyiminomethyl]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-phenylmethoxyiminomethyl]benzoic acid is sourced from PubChem (CID 46567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).