2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide

C21H28N2O2 — CID 141337517

IUPAC2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide
SMILESCC(C)(C)c1cc(-c2c(O)cccc2C(=O)NN)cc(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-20(2,3)14-10-13(11-15(12-14)21(4,5)6)18-16(19(25)23-22)8-7-9-17(18)24/h7-12,24H,22H2,1-6H3,(H,23,25)
InChIKeyBPKOPKAZTIHYSS-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.26
Rot. Bonds2

About 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide

2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide (PubChem CID 141337517) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide
PubChem CID141337517
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide
SMILESCC(C)(C)c1cc(-c2c(O)cccc2C(=O)NN)cc(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-20(2,3)14-10-13(11-15(12-14)21(4,5)6)18-16(19(25)23-22)8-7-9-17(18)24/h7-12,24H,22H2,1-6H3,(H,23,25)
InChIKeyBPKOPKAZTIHYSS-UHFFFAOYSA-N
XLogP4.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide 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 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide (CID 141337517) is 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide is CC(C)(C)c1cc(-c2c(O)cccc2C(=O)NN)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide?
The InChIKey is BPKOPKAZTIHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-20(2,3)14-10-13(11-15(12-14)21(4,5)6)18-16(19(25)23-22)8-7-9-17(18)24/h7-12,24H,22H2,1-6H3,(H,23,25).
What are the key properties of 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide?
2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide has a molecular weight of 340.47 g/mol, XLogP of 4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide is sourced from PubChem (CID 141337517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).