4-[(4-methylphenyl)iminomethyl]benzoic acid

C15H13NO2 — CID 3402295

IUPAC4-[(4-methylphenyl)iminomethyl]benzoic acid
SMILESCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyAEPVZLKKJZIHMS-MHWRWJLKSA-N
MW239.27 g/mol
LogP3.44
Rot. Bonds3

About 4-[(4-methylphenyl)iminomethyl]benzoic acid

4-[(4-methylphenyl)iminomethyl]benzoic acid (PubChem CID 3402295) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(4-methylphenyl)iminomethyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methylphenyl)iminomethyl]benzoic acid
PubChem CID3402295
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-[(4-methylphenyl)iminomethyl]benzoic acid
SMILESCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyAEPVZLKKJZIHMS-MHWRWJLKSA-N
XLogP3.44
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
CID 4309216
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate
CID 160768273
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
4-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]iminomethyl]benzoic acid
CID 94831942
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)iminomethyl]benzoic acid?
The IUPAC name of 4-[(4-methylphenyl)iminomethyl]benzoic acid (CID 3402295) is 4-[(4-methylphenyl)iminomethyl]benzoic acid.
What is the SMILES notation for 4-[(4-methylphenyl)iminomethyl]benzoic acid?
The canonical SMILES for 4-[(4-methylphenyl)iminomethyl]benzoic acid is Cc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)iminomethyl]benzoic acid?
The InChIKey is AEPVZLKKJZIHMS-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b16-10+.
What are the key properties of 4-[(4-methylphenyl)iminomethyl]benzoic acid?
4-[(4-methylphenyl)iminomethyl]benzoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)iminomethyl]benzoic acid is sourced from PubChem (CID 3402295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).