4-(2-benzylidenehydrazinyl)benzoic acid

C14H12N2O2 — CID 66776702

IUPAC4-(2-benzylidenehydrazinyl)benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccccc2)cc1
InChIInChI=1S/C14H12N2O2/c17-14(18)12-6-8-13(9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10,16H,(H,17,18)
InChIKeyJDATYVFRJIDLAD-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.83
Rot. Bonds4

About 4-(2-benzylidenehydrazinyl)benzoic acid

4-(2-benzylidenehydrazinyl)benzoic acid (PubChem CID 66776702) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-benzylidenehydrazinyl)benzoic acid.

Molecular Properties

Compound Name4-(2-benzylidenehydrazinyl)benzoic acid
PubChem CID66776702
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(2-benzylidenehydrazinyl)benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccccc2)cc1
InChIInChI=1S/C14H12N2O2/c17-14(18)12-6-8-13(9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10,16H,(H,17,18)
InChIKeyJDATYVFRJIDLAD-UHFFFAOYSA-N
XLogP2.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.83
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-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672
4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 21352234
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
4-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 5042839
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylidenehydrazinyl)benzoic acid?
The IUPAC name of 4-(2-benzylidenehydrazinyl)benzoic acid (CID 66776702) is 4-(2-benzylidenehydrazinyl)benzoic acid.
What is the SMILES notation for 4-(2-benzylidenehydrazinyl)benzoic acid?
The canonical SMILES for 4-(2-benzylidenehydrazinyl)benzoic acid is O=C(O)c1ccc(NN=Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-benzylidenehydrazinyl)benzoic acid?
The InChIKey is JDATYVFRJIDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)12-6-8-13(9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10,16H,(H,17,18).
What are the key properties of 4-(2-benzylidenehydrazinyl)benzoic acid?
4-(2-benzylidenehydrazinyl)benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylidenehydrazinyl)benzoic acid is sourced from PubChem (CID 66776702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).