4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid

C15H14N2O2 — CID 9014672

IUPAC4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccccc1N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O2/c1-11-4-2-3-5-14(11)17-16-10-12-6-8-13(9-7-12)15(18)19/h2-10,17H,1H3,(H,18,19)/b16-10-
InChIKeyMLLIWOKYHXWDFB-YBEGLDIGSA-N
MW254.29 g/mol
LogP3.14
Rot. Bonds4

About 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid

4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 9014672) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID9014672
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccccc1N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O2/c1-11-4-2-3-5-14(11)17-16-10-12-6-8-13(9-7-12)15(18)19/h2-10,17H,1H3,(H,18,19)/b16-10-
InChIKeyMLLIWOKYHXWDFB-YBEGLDIGSA-N
XLogP3.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
CID 3290055
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
4-[(E)-[[(2R)-2-(2-methylphenoxy)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 39365688
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]benzoic acid
CID 6016961

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid (CID 9014672) is 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid is Cc1ccccc1N/N=C\c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is MLLIWOKYHXWDFB-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-4-2-3-5-14(11)17-16-10-12-6-8-13(9-7-12)15(18)19/h2-10,17H,1H3,(H,18,19)/b16-10-.
What are the key properties of 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 9014672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).