4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid

C19H20N2O2 — CID 143217668

IUPAC4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid
SMILESC=C(/C(C)=N\Nc1ccc(CC)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O2/c1-4-15-5-11-18(12-6-15)21-20-14(3)13(2)16-7-9-17(10-8-16)19(22)23/h5-12,21H,2,4H2,1,3H3,(H,22,23)/b20-14-
InChIKeyFIWNERKXPCFAHF-ZHZULCJRSA-N
MW308.38 g/mol
LogP4.45
Rot. Bonds6

About 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid

4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid (PubChem CID 143217668) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid
PubChem CID143217668
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid
SMILESC=C(/C(C)=N\Nc1ccc(CC)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O2/c1-4-15-5-11-18(12-6-15)21-20-14(3)13(2)16-7-9-17(10-8-16)19(22)23/h5-12,21H,2,4H2,1,3H3,(H,22,23)/b20-14-
InChIKeyFIWNERKXPCFAHF-ZHZULCJRSA-N
XLogP4.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3-Phenyl-2-propenylidene)hydrazino]benzoic acid
CID 6893084
4-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
CID 6899477
CID 9629901
CID 9629901
(9E)-9-(phenylhydrazono)-9H-fluorene-4-carboxylic acid
CID 21205130
4-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}benzoic acid
CID 9633427
3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 9643155
4-[(2E)-2-[(4-Tert-butylphenyl)methylidene]hydrazin-1-YL]benzoic acid
CID 9657888
4-(4-Aminophenyl)benzoic acid
CID 308678
4-[(2Z)-2-[[(4-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]benzoic acid
CID 6372730
Benzoic acid, 4-[(E)-[2-(2,4-difluorophenyl)hydrazinylidene]methyl]-
CID 9625775
3-[(2E)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid
CID 9662909
4-[(2E)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid;sulfuric acid
CID 16239846

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid?
The IUPAC name of 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid (CID 143217668) is 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid.
What is the SMILES notation for 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid?
The canonical SMILES for 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid is C=C(/C(C)=N\Nc1ccc(CC)cc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid?
The InChIKey is FIWNERKXPCFAHF-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-15-5-11-18(12-6-15)21-20-14(3)13(2)16-7-9-17(10-8-16)19(22)23/h5-12,21H,2,4H2,1,3H3,(H,22,23)/b20-14-.
What are the key properties of 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid?
4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-3-[(4-ethylphenyl)hydrazinylidene]but-1-en-2-yl]benzoic acid is sourced from PubChem (CID 143217668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).