4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid

C22H19NO3 — CID 126207463

IUPAC4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
SMILESCc1ccccc1/N=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H19NO3/c1-16-5-2-3-8-21(16)23-14-18-6-4-7-20(13-18)26-15-17-9-11-19(12-10-17)22(24)25/h2-14H,15H2,1H3,(H,24,25)/b23-14+
InChIKeyKTRBANOZBVZDAO-OEAKJJBVSA-N
MW345.40 g/mol
LogP5.02
Rot. Bonds6

About 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid

4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid (PubChem CID 126207463) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
PubChem CID126207463
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
SMILESCc1ccccc1/N=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H19NO3/c1-16-5-2-3-8-21(16)23-14-18-6-4-7-20(13-18)26-15-17-9-11-19(12-10-17)22(24)25/h2-14H,15H2,1H3,(H,24,25)/b23-14+
InChIKeyKTRBANOZBVZDAO-OEAKJJBVSA-N
XLogP5.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]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

4-[[2-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 23827129
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
4-[[2-chloro-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126220395
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6052254
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
4-[[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126218388
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183
N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126206312

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid (CID 126207463) is 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid is Cc1ccccc1/N=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid?
The InChIKey is KTRBANOZBVZDAO-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-5-2-3-8-21(16)23-14-18-6-4-7-20(13-18)26-15-17-9-11-19(12-10-17)22(24)25/h2-14H,15H2,1H3,(H,24,25)/b23-14+.
What are the key properties of 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid?
4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 126207463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).