4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid

C16H16N2O3 — CID 136713353

IUPAC4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
SMILESCC/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-15(11-5-9-14(19)10-6-11)18-17-13-7-3-12(4-8-13)16(20)21/h3-10,17,19H,2H2,1H3,(H,20,21)/b18-15-
InChIKeyHPBINUNUQWVBPQ-SDXDJHTJSA-N
MW284.32 g/mol
LogP3.32
Rot. Bonds5

About 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid (PubChem CID 136713353) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
PubChem CID136713353
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
SMILESCC/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-15(11-5-9-14(19)10-6-11)18-17-13-7-3-12(4-8-13)16(20)21/h3-10,17,19H,2H2,1H3,(H,20,21)/b18-15-
InChIKeyHPBINUNUQWVBPQ-SDXDJHTJSA-N
XLogP3.32
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2,2-diphenylacetamide
CID 136831660
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-hydroxy(11C)benzoic acid
CID 11275035
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
4-[(2E)-2-(4-carboxybutan-2-ylidene)hydrazinyl]benzoic acid
CID 5354683
4-[2-(1-cyclopropylethylidene)hydrazinyl]benzoic acid
CID 3385757

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid (CID 136713353) is 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid is CC/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid?
The InChIKey is HPBINUNUQWVBPQ-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-15(11-5-9-14(19)10-6-11)18-17-13-7-3-12(4-8-13)16(20)21/h3-10,17,19H,2H2,1H3,(H,20,21)/b18-15-.
What are the key properties of 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 136713353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).