2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol

C15H23NO2 — CID 135472366

IUPAC2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-9,17-18H,1-6H3/b16-9+
InChIKeyMHAZQZQNQAMVMT-CXUHLZMHSA-N
MW249.35 g/mol
LogP3.80
Rot. Bonds1

About 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol

2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135472366) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol
PubChem CID135472366
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-9,17-18H,1-6H3/b16-9+
InChIKeyMHAZQZQNQAMVMT-CXUHLZMHSA-N
XLogP3.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-Di-tert-butyl-4-methylphenol
CID 31404
2,4-Dimethyl-6-tert-butylphenol
CID 15884
Salicylaldoxime
CID 135408751
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
Salicylaldehyde oxime
CID 7200
5-Nonylsalicylaldoxime
CID 135478032
3-Fluoro-3'-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-4,4'-Diol
CID 135567291
2,6-DI-Tert-butyl-4-[(1Z)-1-(hydroxyimino)ethyl]phenol
CID 135476867
5-(Tert-butyl)-2-hydroxybenzenecarbaldehyde oxime
CID 135476806
2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
CID 137287868
2-(N-Hydroxy-C-undecylcarbonimidoyl)-4-methylphenol
CID 129074
1-(2-Hydroxy-5-tert-nonylphenyl)ethan-1-one oxime
CID 94636

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol (CID 135472366) is 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol is CC(C)(C)c1cc(/C=N/O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is MHAZQZQNQAMVMT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-9,17-18H,1-6H3/b16-9+.
What are the key properties of 2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol?
2,6-ditert-butyl-4-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.80, 1 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)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135472366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).