4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate

C17H17N2O3- — CID 9013348

IUPAC4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate
SMILESC/C(CCc1ccc(O)cc1)=N/Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-12(2-3-13-4-10-16(20)11-5-13)18-19-15-8-6-14(7-9-15)17(21)22/h4-11,19-20H,2-3H2,1H3,(H,21,22)/p-1/b18-12-
InChIKeyRZDWDRQQBHWMGT-PDGQHHTCSA-M
MW297.33 g/mol
LogP2.18
Rot. Bonds6

About 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate

4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate (PubChem CID 9013348) has the molecular formula C17H17N2O3- and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate
PubChem CID9013348
Molecular FormulaC17H17N2O3-
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate
SMILESC/C(CCc1ccc(O)cc1)=N/Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-12(2-3-13-4-10-16(20)11-5-13)18-19-15-8-6-14(7-9-15)17(21)22/h4-11,19-20H,2-3H2,1H3,(H,21,22)/p-1/b18-12-
InChIKeyRZDWDRQQBHWMGT-PDGQHHTCSA-M
XLogP2.18
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.18
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'}

Analyze 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate (CID 9013348) is 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate is C/C(CCc1ccc(O)cc1)=N/Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate?
The InChIKey is RZDWDRQQBHWMGT-PDGQHHTCSA-M. The full InChI is InChI=1S/C17H18N2O3/c1-12(2-3-13-4-10-16(20)11-5-13)18-19-15-8-6-14(7-9-15)17(21)22/h4-11,19-20H,2-3H2,1H3,(H,21,22)/p-1/b18-12-.
What are the key properties of 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate has a molecular weight of 297.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9013348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).