4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid

C18H20N2O3 — CID 9012740

IUPAC4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(CC/C(C)=N\Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(3-4-14-5-11-17(23-2)12-6-14)19-20-16-9-7-15(8-10-16)18(21)22/h5-12,20H,3-4H2,1-2H3,(H,21,22)/b19-13-
InChIKeyLLOMKZDVYQXCIQ-UYRXBGFRSA-N
MW312.37 g/mol
LogP3.81
Rot. Bonds7

About 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid (PubChem CID 9012740) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
PubChem CID9012740
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(CC/C(C)=N\Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(3-4-14-5-11-17(23-2)12-6-14)19-20-16-9-7-15(8-10-16)18(21)22/h5-12,20H,3-4H2,1-2H3,(H,21,22)/b19-13-
InChIKeyLLOMKZDVYQXCIQ-UYRXBGFRSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.81
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'}

Analyze 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid with MolForge

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Related Compounds

4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate
CID 9013348
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid (CID 9012740) is 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid is COc1ccc(CC/C(C)=N\Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid?
The InChIKey is LLOMKZDVYQXCIQ-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(3-4-14-5-11-17(23-2)12-6-14)19-20-16-9-7-15(8-10-16)18(21)22/h5-12,20H,3-4H2,1-2H3,(H,21,22)/b19-13-.
What are the key properties of 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 9012740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).