3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid

C16H16N2O4 — CID 110841501

IUPAC3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(C=NNc2cccc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-6-12(15(9-14)22-2)10-17-18-13-5-3-4-11(8-13)16(19)20/h3-10,18H,1-2H3,(H,19,20)
InChIKeyZARGZZJWPWCNNI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.85
Rot. Bonds6

About 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid

3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 110841501) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID110841501
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(C=NNc2cccc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-6-12(15(9-14)22-2)10-17-18-13-5-3-4-11(8-13)16(19)20/h3-10,18H,1-2H3,(H,19,20)
InChIKeyZARGZZJWPWCNNI-UHFFFAOYSA-N
XLogP2.85
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
CID 135692416
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
3-[(2Z)-2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 19580133

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 110841501) is 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid is COc1ccc(C=NNc2cccc(C(=O)O)c2)c(OC)c1.
What is the InChIKey of 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is ZARGZZJWPWCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-7-6-12(15(9-14)22-2)10-17-18-13-5-3-4-11(8-13)16(19)20/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).