2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol

C18H29NO2 — CID 165344196

IUPAC2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol
SMILESCON=C(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H29NO2/c1-12(19-21-8)9-13-10-14(17(2,3)4)11-15(16(13)20)18(5,6)7/h10-11,20H,9H2,1-8H3
InChIKeyKRPFDJOUISLWDW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.55
Rot. Bonds3

About 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol

2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol (PubChem CID 165344196) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol
PubChem CID165344196
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol
SMILESCON=C(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H29NO2/c1-12(19-21-8)9-13-10-14(17(2,3)4)11-15(16(13)20)18(5,6)7/h10-11,20H,9H2,1-8H3
InChIKeyKRPFDJOUISLWDW-UHFFFAOYSA-N
XLogP4.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
2-[[bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-4,6-ditert-butylphenol;propan-2-ol;zirconium
CID 5241995
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 24854213
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
[2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenoxy]-fluorophosphinous acid
CID 22998694
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfinylphenol
CID 10790081
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol (CID 165344196) is 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol is CON=C(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol?
The InChIKey is KRPFDJOUISLWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(19-21-8)9-13-10-14(17(2,3)4)11-15(16(13)20)18(5,6)7/h10-11,20H,9H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol?
2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol has a molecular weight of 291.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(2-methoxyiminopropyl)phenol is sourced from PubChem (CID 165344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).