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

C15H14N2O2 — CID 110840968

IUPAC2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O2/c1-11-6-8-13(9-7-11)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyVPAWRDPUTOYRPB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.14
Rot. Bonds4

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

2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 110840968) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID110840968
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O2/c1-11-6-8-13(9-7-11)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyVPAWRDPUTOYRPB-UHFFFAOYSA-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

2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
methyl 2-[(Z)-[[4-(4-methylphenyl)sulfonylphenyl]hydrazinylidene]methyl]benzoate
CID 8979814
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
2-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208852
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
2-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]benzoic acid
CID 6311480
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid (CID 110840968) is 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid is Cc1ccc(NN=Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is VPAWRDPUTOYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-6-8-13(9-7-11)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid?
2-[[(4-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 2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 110840968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).