2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol

C17H28N2O — CID 2320237

IUPAC2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol
SMILESCCNN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O/c1-8-18-19-11-12-9-13(16(2,3)4)10-14(15(12)20)17(5,6)7/h9-11,18,20H,8H2,1-7H3
InChIKeyPRLGETWZIPQQSM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.93
Rot. Bonds3

About 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol

2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol (PubChem CID 2320237) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol
PubChem CID2320237
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol
SMILESCCNN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O/c1-8-18-19-11-12-9-13(16(2,3)4)10-14(15(12)20)17(5,6)7/h9-11,18,20H,8H2,1-7H3
InChIKeyPRLGETWZIPQQSM-UHFFFAOYSA-N
XLogP3.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol (CID 2320237) is 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol is CCNN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol?
The InChIKey is PRLGETWZIPQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-8-18-19-11-12-9-13(16(2,3)4)10-14(15(12)20)17(5,6)7/h9-11,18,20H,8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol?
2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(ethylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 2320237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).