2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane

C18H34N2O — CID 172972510

IUPAC2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
SMILESC.C.CN/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O.2CH4/c1-15(2,3)12-8-11(10-18-17-7)9-13(14(12)19)16(4,5)6;;/h8-10,17,19H,1-7H3;2*1H4/b18-10+;;
InChIKeyUXBHXQNJYKZFNB-LCCCTGDHSA-N
MW294.48 g/mol
LogP4.81
Rot. Bonds2

About 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane

2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane (PubChem CID 172972510) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
PubChem CID172972510
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
SMILESC.C.CN/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O.2CH4/c1-15(2,3)12-8-11(10-18-17-7)9-13(14(12)19)16(4,5)6;;/h8-10,17,19H,1-7H3;2*1H4/b18-10+;;
InChIKeyUXBHXQNJYKZFNB-LCCCTGDHSA-N
XLogP4.81
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789428
4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 136767804
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068
2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 136690371
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 4675666
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-ditert-butylphenol
CID 5268843

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane?
The IUPAC name of 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane (CID 172972510) is 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane.
What is the SMILES notation for 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane?
The canonical SMILES for 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane is C.C.CN/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane?
The InChIKey is UXBHXQNJYKZFNB-LCCCTGDHSA-N. The full InChI is InChI=1S/C16H26N2O.2CH4/c1-15(2,3)12-8-11(10-18-17-7)9-13(14(12)19)16(4,5)6;;/h8-10,17,19H,1-7H3;2*1H4/b18-10+;;.
What are the key properties of 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane?
2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane has a molecular weight of 294.48 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane is sourced from PubChem (CID 172972510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).