3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid

C18H14N2O3 — CID 94829794

IUPAC3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(/C=N\Nc3ccccc3)o2)c1
InChIInChI=1S/C18H14N2O3/c21-18(22)14-6-4-5-13(11-14)17-10-9-16(23-17)12-19-20-15-7-2-1-3-8-15/h1-12,20H,(H,21,22)/b19-12-
InChIKeyRJSOHXARDKNOET-UNOMPAQXSA-N
MW306.32 g/mol
LogP4.09
Rot. Bonds5

About 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid

3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 94829794) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
PubChem CID94829794
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(/C=N\Nc3ccccc3)o2)c1
InChIInChI=1S/C18H14N2O3/c21-18(22)14-6-4-5-13(11-14)17-10-9-16(23-17)12-19-20-15-7-2-1-3-8-15/h1-12,20H,(H,21,22)/b19-12-
InChIKeyRJSOHXARDKNOET-UNOMPAQXSA-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

4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
3-[5-[(E)-[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 73350572
3-[5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 71747664
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1104271
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
3-[5-[(E)-[[6-(3,4-dichloroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 87989359
3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6302659
3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid
CID 5339251
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
CID 27059659
3-[5-[(E)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5349799
3-[5-[(E)-[[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 22829046

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CID 94829794) is 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid is O=C(O)c1cccc(-c2ccc(/C=N\Nc3ccccc3)o2)c1.
What is the InChIKey of 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is RJSOHXARDKNOET-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(22)14-6-4-5-13(11-14)17-10-9-16(23-17)12-19-20-15-7-2-1-3-8-15/h1-12,20H,(H,21,22)/b19-12-.
What are the key properties of 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
3-[5-[(Z)-(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 3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 94829794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).