4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid

C18H14N2O3 — CID 51138316

IUPAC4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1
InChIInChI=1S/C18H14N2O3/c21-18(22)14-8-6-13(7-9-14)17-11-10-16(23-17)12-19-20-15-4-2-1-3-5-15/h1-12,20H,(H,21,22)/b19-12+
InChIKeyQRIJJHCYFUHXHO-XDHOZWIPSA-N
MW306.32 g/mol
LogP4.09
Rot. Bonds5

About 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid

4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 51138316) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
PubChem CID51138316
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1
InChIInChI=1S/C18H14N2O3/c21-18(22)14-8-6-13(7-9-14)17-11-10-16(23-17)12-19-20-15-4-2-1-3-5-15/h1-12,20H,(H,21,22)/b19-12+
InChIKeyQRIJJHCYFUHXHO-XDHOZWIPSA-N
XLogP4.09
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.09
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

3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
4-[5-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1207687
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 21352237
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5396321
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CID 51138316) is 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid is O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1.
What is the InChIKey of 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is QRIJJHCYFUHXHO-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(22)14-8-6-13(7-9-14)17-11-10-16(23-17)12-19-20-15-4-2-1-3-5-15/h1-12,20H,(H,21,22)/b19-12+.
What are the key properties of 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 51138316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).