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

C22H20N2O3 — CID 110841207

IUPAC4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccc(Oc2ccc(C=NNc3ccc(C(=O)O)cc3)cc2)cc1C
InChIInChI=1S/C22H20N2O3/c1-15-3-10-21(13-16(15)2)27-20-11-4-17(5-12-20)14-23-24-19-8-6-18(7-9-19)22(25)26/h3-14,24H,1-2H3,(H,25,26)
InChIKeyKNWLROOBRWHJEE-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.24
Rot. Bonds6

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

4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 110841207) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID110841207
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCc1ccc(Oc2ccc(C=NNc3ccc(C(=O)O)cc3)cc2)cc1C
InChIInChI=1S/C22H20N2O3/c1-15-3-10-21(13-16(15)2)27-20-11-4-17(5-12-20)14-23-24-19-8-6-18(7-9-19)22(25)26/h3-14,24H,1-2H3,(H,25,26)
InChIKeyKNWLROOBRWHJEE-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

3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-3-nitroaniline
CID 110842350
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
3-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid (CID 110841207) is 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is Cc1ccc(Oc2ccc(C=NNc3ccc(C(=O)O)cc3)cc2)cc1C.
What is the InChIKey of 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is KNWLROOBRWHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-3-10-21(13-16(15)2)27-20-11-4-17(5-12-20)14-23-24-19-8-6-18(7-9-19)22(25)26/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid?
4-[2-[[4-(3,4-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 4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 110841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).