2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide

C13H20N2O2 — CID 87214855

IUPAC2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
SMILESCc1cc(CC(=O)NN)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-8-5-9(7-11(16)15-14)12(17)10(6-8)13(2,3)4/h5-6,17H,7,14H2,1-4H3,(H,15,16)
InChIKeyXSPHZEYIRFKUTN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds2

About 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide

2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide (PubChem CID 87214855) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
PubChem CID87214855
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
SMILESCc1cc(CC(=O)NN)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-8-5-9(7-11(16)15-14)12(17)10(6-8)13(2,3)4/h5-6,17H,7,14H2,1-4H3,(H,15,16)
InChIKeyXSPHZEYIRFKUTN-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
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

3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117415645
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
CID 158695693
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide?
The IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide (CID 87214855) is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide?
The canonical SMILES for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide is Cc1cc(CC(=O)NN)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide?
The InChIKey is XSPHZEYIRFKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-5-9(7-11(16)15-14)12(17)10(6-8)13(2,3)4/h5-6,17H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide?
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide is sourced from PubChem (CID 87214855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).