2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol

C16H25NO2 — CID 136842036

IUPAC2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
SMILESCOCC(C)(C)/N=C/c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-9-7-8-12(14(13)18)10-17-16(4,5)11-19-6/h7-10,18H,11H2,1-6H3/b17-10+
InChIKeyAXVGOYYIQRZDKA-LICLKQGHSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds4

About 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol

2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol (PubChem CID 136842036) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
PubChem CID136842036
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
SMILESCOCC(C)(C)/N=C/c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-15(2,3)13-9-7-8-12(14(13)18)10-17-16(4,5)11-19-6/h7-10,18H,11H2,1-6H3/b17-10+
InChIKeyAXVGOYYIQRZDKA-LICLKQGHSA-N
XLogP3.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol (CID 136842036) is 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol is COCC(C)(C)/N=C/c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol?
The InChIKey is AXVGOYYIQRZDKA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)13-9-7-8-12(14(13)18)10-17-16(4,5)11-19-6/h7-10,18H,11H2,1-6H3/b17-10+.
What are the key properties of 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol?
2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol is sourced from PubChem (CID 136842036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).