4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid

C21H18N2O3 — CID 110841204

IUPAC4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1Oc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C21H18N2O3/c1-15-4-2-3-5-20(15)26-19-12-6-16(7-13-19)14-22-23-18-10-8-17(9-11-18)21(24)25/h2-14,23H,1H3,(H,24,25)
InChIKeyVSJJSATXUMDQJU-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.93
Rot. Bonds6

About 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid

4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 110841204) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID110841204
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccccc1Oc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C21H18N2O3/c1-15-4-2-3-5-20(15)26-19-12-6-16(7-13-19)14-22-23-18-10-8-17(9-11-18)21(24)25/h2-14,23H,1H3,(H,24,25)
InChIKeyVSJJSATXUMDQJU-UHFFFAOYSA-N
XLogP4.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
4-[(E)-[[(2R)-2-(2-methylphenoxy)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 39365688
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (CID 110841204) is 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is Cc1ccccc1Oc1ccc(C=NNc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is VSJJSATXUMDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-4-2-3-5-20(15)26-19-12-6-16(7-13-19)14-22-23-18-10-8-17(9-11-18)21(24)25/h2-14,23H,1H3,(H,24,25).
What are the key properties of 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid has a molecular weight of 346.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).