2-(2-methylpropanimidoyl)-6-propan-2-ylphenol

C13H19NO — CID 635287

IUPAC2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
SMILES[H]/N=C(/c1cccc(C(C)C)c1O)C(C)C
InChIInChI=1S/C13H19NO/c1-8(2)10-6-5-7-11(13(10)15)12(14)9(3)4/h5-9,14-15H,1-4H3/b14-12+
InChIKeyFLQFLMQIKAZSJI-WYMLVPIESA-N
MW205.30 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol

2-(2-methylpropanimidoyl)-6-propan-2-ylphenol (PubChem CID 635287) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
PubChem CID635287
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
SMILES[H]/N=C(/c1cccc(C(C)C)c1O)C(C)C
InChIInChI=1S/C13H19NO/c1-8(2)10-6-5-7-11(13(10)15)12(14)9(3)4/h5-9,14-15H,1-4H3/b14-12+
InChIKeyFLQFLMQIKAZSJI-WYMLVPIESA-N
XLogP3.54
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.54
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

2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2-[2,6-di(propan-2-yl)benzenecarboximidoyl]phenol;ruthenium
CID 175907003
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-bromo-6-propan-2-ylphenol
CID 14663965
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
CID 6389258
CID 6389258
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726
3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide
CID 175298497

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol?
The IUPAC name of 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol (CID 635287) is 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol is [H]/N=C(/c1cccc(C(C)C)c1O)C(C)C.
What is the InChIKey of 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol?
The InChIKey is FLQFLMQIKAZSJI-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)10-6-5-7-11(13(10)15)12(14)9(3)4/h5-9,14-15H,1-4H3/b14-12+.
What are the key properties of 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol?
2-(2-methylpropanimidoyl)-6-propan-2-ylphenol has a molecular weight of 205.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanimidoyl)-6-propan-2-ylphenol is sourced from PubChem (CID 635287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).