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

C22H20N2O3 — CID 110841464

IUPAC3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1cccc(Oc2ccc(C=NNc3cccc(C(=O)O)c3)cc2)c1C
InChIInChI=1S/C22H20N2O3/c1-15-5-3-8-21(16(15)2)27-20-11-9-17(10-12-20)14-23-24-19-7-4-6-18(13-19)22(25)26/h3-14,24H,1-2H3,(H,25,26)
InChIKeyYKERVCVTUHCBRY-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.24
Rot. Bonds6

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

3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 110841464) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID110841464
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1cccc(Oc2ccc(C=NNc3cccc(C(=O)O)c3)cc2)c1C
InChIInChI=1S/C22H20N2O3/c1-15-5-3-8-21(16(15)2)27-20-11-9-17(10-12-20)14-23-24-19-7-4-6-18(13-19)22(25)26/h3-14,24H,1-2H3,(H,25,26)
InChIKeyYKERVCVTUHCBRY-UHFFFAOYSA-N
XLogP5.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.24
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

N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-[(2E)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110505152
3-[(2Z)-2-[(4-benzoyloxy-3-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 6039493

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (CID 110841464) is 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is Cc1cccc(Oc2ccc(C=NNc3cccc(C(=O)O)c3)cc2)c1C.
What is the InChIKey of 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is YKERVCVTUHCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-5-3-8-21(16(15)2)27-20-11-9-17(10-12-20)14-23-24-19-7-4-6-18(13-19)22(25)26/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).