3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid

C15H14N2O2 — CID 78596974

IUPAC3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1C=NNc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O2/c1-11-5-2-3-6-13(11)10-16-17-14-8-4-7-12(9-14)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyYYAMMDRRXUQSNA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.14
Rot. Bonds4

About 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid

3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 78596974) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID78596974
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1C=NNc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O2/c1-11-5-2-3-6-13(11)10-16-17-14-8-4-7-12(9-14)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyYYAMMDRRXUQSNA-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

3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
3-[(2Z)-2-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidene]hydrazinyl]benzoic acid
CID 8011552
3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
CID 59339716
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid (CID 78596974) is 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid is Cc1ccccc1C=NNc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is YYAMMDRRXUQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-5-2-3-6-13(11)10-16-17-14-8-4-7-12(9-14)15(18)19/h2-10,17H,1H3,(H,18,19).
What are the key properties of 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid?
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]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 3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 78596974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).