4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

C17H16N2O4 — CID 784771

IUPAC4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-12-4-2-3-5-15(12)23-11-16(20)19-18-10-13-6-8-14(9-7-13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyAWLICOVMAMRCQX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.22
Rot. Bonds6

About 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid

4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 784771) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID784771
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-12-4-2-3-5-15(12)23-11-16(20)19-18-10-13-6-8-14(9-7-13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyAWLICOVMAMRCQX-UHFFFAOYSA-N
XLogP2.22
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.22
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-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6025641
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19208670
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
[4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1270713
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 7801606
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid (CID 784771) is 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is AWLICOVMAMRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12-4-2-3-5-15(12)23-11-16(20)19-18-10-13-6-8-14(9-7-13)17(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).