[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate

C17H16N2O4 — CID 110515633

IUPAC[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12(20)23-16-8-4-14(5-9-16)11-18-19-17(22)10-13-2-6-15(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,19,22)/b18-11-
InChIKeyXXAHENUNTVTWAN-WQRHYEAKSA-N
MW312.33 g/mol
LogP2.01
Rot. Bonds5

About [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate

[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 110515633) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID110515633
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12(20)23-16-8-4-14(5-9-16)11-18-19-17(22)10-13-2-6-15(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,19,22)/b18-11-
InChIKeyXXAHENUNTVTWAN-WQRHYEAKSA-N
XLogP2.01
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate with MolForge

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate
CID 987935
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789440

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate (CID 110515633) is [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate is CC(=O)Oc1ccc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is XXAHENUNTVTWAN-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12(20)23-16-8-4-14(5-9-16)11-18-19-17(22)10-13-2-6-15(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,19,22)/b18-11-.
What are the key properties of [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate?
[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 312.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 110515633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).