2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide

C21H28N2O2 — CID 87280796

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide
SMILESCC(C)(C)c1cc(-c2ccccc2C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2O2/c1-20(2,3)16-11-13(12-17(18(16)24)21(4,5)6)14-9-7-8-10-15(14)19(25)23-22/h7-12,24H,22H2,1-6H3,(H,23,25)
InChIKeyGIRFHIQZAZJQGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.26
Rot. Bonds2

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide

2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide (PubChem CID 87280796) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide
PubChem CID87280796
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide
SMILESCC(C)(C)c1cc(-c2ccccc2C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2O2/c1-20(2,3)16-11-13(12-17(18(16)24)21(4,5)6)14-9-7-8-10-15(14)19(25)23-22/h7-12,24H,22H2,1-6H3,(H,23,25)
InChIKeyGIRFHIQZAZJQGC-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'}

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Related Compounds

azulene-1-carbohydrazide
CID 45118106
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide
CID 141337517
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093
5-tert-butyl-2-hydroxybenzohydrazide
CID 21447983
5-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3846389
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-9H-fluoren-1-yl]oxy]-3-oxopropanoic acid
CID 150669921
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-acetylbenzohydrazide;hydrochloride
CID 175815383
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-methylphenyl]-2,6-ditert-butylphenol
CID 141055802

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide (CID 87280796) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide is CC(C)(C)c1cc(-c2ccccc2C(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide?
The InChIKey is GIRFHIQZAZJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-20(2,3)16-11-13(12-17(18(16)24)21(4,5)6)14-9-7-8-10-15(14)19(25)23-22/h7-12,24H,22H2,1-6H3,(H,23,25).
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide?
2-(3,5-ditert-butyl-4-hydroxyphenyl)benzohydrazide 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-butyl-4-hydroxyphenyl)benzohydrazide is sourced from PubChem (CID 87280796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).