6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

C23H20N2O4 — CID 8973020

IUPAC6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)c(C(=O)O)c1OC
InChIInChI=1S/C23H20N2O4/c1-28-19-14-13-18(20(23(26)27)22(19)29-2)15-24-25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/b24-15-
InChIKeyZSJSXMGXWKBLDU-IWIPYMOSSA-N
MW388.42 g/mol
LogP4.27
Rot. Bonds7

About 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid

6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (PubChem CID 8973020) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
PubChem CID8973020
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)c(C(=O)O)c1OC
InChIInChI=1S/C23H20N2O4/c1-28-19-14-13-18(20(23(26)27)22(19)29-2)15-24-25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/b24-15-
InChIKeyZSJSXMGXWKBLDU-IWIPYMOSSA-N
XLogP4.27
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
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

4-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54724958
3-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54717649
3-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]naphthalen-2-olate
CID 54724959
2,3-dimethoxy-6-[(Z)-[(2-methoxyphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
CID 8978898
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
6-[(E)-[[4-[(4-fluorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
CID 86809619
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
2,3-dimethoxy-6-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 8972027
6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 4639552
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5030022
6-[(E)-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]iminomethyl]-2,3-dimethoxybenzoic acid
CID 122713166

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The IUPAC name of 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid (CID 8973020) is 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The canonical SMILES for 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid is COc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)c(C(=O)O)c1OC.
What is the InChIKey of 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
The InChIKey is ZSJSXMGXWKBLDU-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-19-14-13-18(20(23(26)27)22(19)29-2)15-24-25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/b24-15-.
What are the key properties of 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid?
6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 8973020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).