4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid

C18H20N2O5 — CID 4005334

IUPAC4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCOc1cc(OC)c(C(C)=NNc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-11(19-20-13-7-5-12(6-8-13)18(21)22)17-15(24-3)9-14(23-2)10-16(17)25-4/h5-10,20H,1-4H3,(H,21,22)
InChIKeyVGEUHFOJTPCXIK-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.25
Rot. Bonds7

About 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid

4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 4005334) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID4005334
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCOc1cc(OC)c(C(C)=NNc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-11(19-20-13-7-5-12(6-8-13)18(21)22)17-15(24-3)9-14(23-2)10-16(17)25-4/h5-10,20H,1-4H3,(H,21,22)
InChIKeyVGEUHFOJTPCXIK-UHFFFAOYSA-N
XLogP3.25
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
CID 6087410
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
CID 9012740
4-[(2Z)-2-[1-(2,5-dimethylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9012816
N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
CID 137084062
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10020239
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid (CID 4005334) is 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid is COc1cc(OC)c(C(C)=NNc2ccc(C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is VGEUHFOJTPCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(19-20-13-7-5-12(6-8-13)18(21)22)17-15(24-3)9-14(23-2)10-16(17)25-4/h5-10,20H,1-4H3,(H,21,22).
What are the key properties of 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 4005334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).