5-tert-butyl-2-hydroxybenzohydrazide

C11H16N2O2 — CID 21447983

IUPAC5-tert-butyl-2-hydroxybenzohydrazide
SMILESCC(C)(C)c1ccc(O)c(C(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)7-4-5-9(14)8(6-7)10(15)13-12/h4-6,14H,12H2,1-3H3,(H,13,15)
InChIKeyDLQTVEBGMSQSFH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.29
Rot. Bonds1

About 5-tert-butyl-2-hydroxybenzohydrazide

5-tert-butyl-2-hydroxybenzohydrazide (PubChem CID 21447983) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-tert-butyl-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-tert-butyl-2-hydroxybenzohydrazide
PubChem CID21447983
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-tert-butyl-2-hydroxybenzohydrazide
SMILESCC(C)(C)c1ccc(O)c(C(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)7-4-5-9(14)8(6-7)10(15)13-12/h4-6,14H,12H2,1-3H3,(H,13,15)
InChIKeyDLQTVEBGMSQSFH-UHFFFAOYSA-N
XLogP1.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.29
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

4-hydroxybenzene-1,3-dicarbohydrazide
CID 13149470
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
2-(3,5-ditert-butylphenyl)-3-hydroxybenzohydrazide
CID 141337517
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
3-bromo-4-[(5-tert-butyl-2-hydroxybenzoyl)amino]benzoic acid
CID 86272699
5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 110166198
1-(5-tert-butyl-2-hydroxyphenyl)dodecan-1-one
CID 5212255
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
CID 134105467
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-hydroxybenzohydrazide?
The IUPAC name of 5-tert-butyl-2-hydroxybenzohydrazide (CID 21447983) is 5-tert-butyl-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-tert-butyl-2-hydroxybenzohydrazide?
The canonical SMILES for 5-tert-butyl-2-hydroxybenzohydrazide is CC(C)(C)c1ccc(O)c(C(=O)NN)c1.
What is the InChIKey of 5-tert-butyl-2-hydroxybenzohydrazide?
The InChIKey is DLQTVEBGMSQSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)7-4-5-9(14)8(6-7)10(15)13-12/h4-6,14H,12H2,1-3H3,(H,13,15).
What are the key properties of 5-tert-butyl-2-hydroxybenzohydrazide?
5-tert-butyl-2-hydroxybenzohydrazide has a molecular weight of 208.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-hydroxybenzohydrazide is sourced from PubChem (CID 21447983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).