2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol

C17H22N2O — CID 169384285

IUPAC2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCC(C)(C)c1cccc(CNNc2ccccc2)c1O
InChIInChI=1S/C17H22N2O/c1-17(2,3)15-11-7-8-13(16(15)20)12-18-19-14-9-5-4-6-10-14/h4-11,18-20H,12H2,1-3H3
InChIKeyPLYHQSXMHPGEJZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.81
Rot. Bonds4

About 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol

2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169384285) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169384285
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCC(C)(C)c1cccc(CNNc2ccccc2)c1O
InChIInChI=1S/C17H22N2O/c1-17(2,3)15-11-7-8-13(16(15)20)12-18-19-14-9-5-4-6-10-14/h4-11,18-20H,12H2,1-3H3
InChIKeyPLYHQSXMHPGEJZ-UHFFFAOYSA-N
XLogP3.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
2-tert-butyl-6-[(2-hydroxyethylamino)methyl]phenol
CID 21199225
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241
1-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387110
1-[(2,3-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384408
2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
CID 174772917
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 123908661
2-[(2-phenylhydrazinyl)methyl]benzenesulfonic acid
CID 169384301
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol (CID 169384285) is 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol is CC(C)(C)c1cccc(CNNc2ccccc2)c1O.
What is the InChIKey of 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is PLYHQSXMHPGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,3)15-11-7-8-13(16(15)20)12-18-19-14-9-5-4-6-10-14/h4-11,18-20H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol?
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169384285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).