4-tert-butyl-2-ethyl-6-methanimidoylphenol

C13H19NO — CID 145026368

IUPAC4-tert-butyl-2-ethyl-6-methanimidoylphenol
SMILES[H]/N=C/c1cc(C(C)(C)C)cc(CC)c1O
InChIInChI=1S/C13H19NO/c1-5-9-6-11(13(2,3)4)7-10(8-14)12(9)15/h6-8,14-15H,5H2,1-4H3/b14-8+
InChIKeyMPWNAAMEEYSVEM-RIYZIHGNSA-N
MW205.30 g/mol
LogP3.25
Rot. Bonds2

About 4-tert-butyl-2-ethyl-6-methanimidoylphenol

4-tert-butyl-2-ethyl-6-methanimidoylphenol (PubChem CID 145026368) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-6-methanimidoylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-6-methanimidoylphenol
PubChem CID145026368
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-tert-butyl-2-ethyl-6-methanimidoylphenol
SMILES[H]/N=C/c1cc(C(C)(C)C)cc(CC)c1O
InChIInChI=1S/C13H19NO/c1-5-9-6-11(13(2,3)4)7-10(8-14)12(9)15/h6-8,14-15H,5H2,1-4H3/b14-8+
InChIKeyMPWNAAMEEYSVEM-RIYZIHGNSA-N
XLogP3.25
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
CID 177492098
5-[2-[3-[1,1-bis(3-ethyl-5-formyl-4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-3-ethyl-2-hydroxybenzaldehyde
CID 87529352
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
3-[(4-acetylpiperazin-1-yl)methyl]-5-tert-butyl-2-hydroxybenzaldehyde
CID 101423971
5-tert-butyl-2-hydroxy-3-(imidazol-1-ylmethyl)benzaldehyde
CID 54768785
2-chloro-6-methanimidoyl-4-methylphenol
CID 143431027
(3-tert-butyl-4-hydroxy-5-methanimidoylphenyl) formate;2,4-ditert-butyl-6-(heptan-4-yliminomethyl)phenol;N-methylprop-2-en-1-amine
CID 142263565
2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137090771
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
CID 83899432
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422
4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 177498883

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethyl-6-methanimidoylphenol?
The IUPAC name of 4-tert-butyl-2-ethyl-6-methanimidoylphenol (CID 145026368) is 4-tert-butyl-2-ethyl-6-methanimidoylphenol.
What is the SMILES notation for 4-tert-butyl-2-ethyl-6-methanimidoylphenol?
The canonical SMILES for 4-tert-butyl-2-ethyl-6-methanimidoylphenol is [H]/N=C/c1cc(C(C)(C)C)cc(CC)c1O.
What is the InChIKey of 4-tert-butyl-2-ethyl-6-methanimidoylphenol?
The InChIKey is MPWNAAMEEYSVEM-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-9-6-11(13(2,3)4)7-10(8-14)12(9)15/h6-8,14-15H,5H2,1-4H3/b14-8+.
What are the key properties of 4-tert-butyl-2-ethyl-6-methanimidoylphenol?
4-tert-butyl-2-ethyl-6-methanimidoylphenol has a molecular weight of 205.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-6-methanimidoylphenol is sourced from PubChem (CID 145026368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).