4-bromo-2-(tert-butyliminomethyl)phenol

C11H14BrNO — CID 681182

IUPAC4-bromo-2-(tert-butyliminomethyl)phenol
SMILESCC(C)(C)/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/b13-7+
InChIKeyNHQOUGCHFVEMRF-NTUHNPAUSA-N
MW256.14 g/mol
LogP3.37
Rot. Bonds1

About 4-bromo-2-(tert-butyliminomethyl)phenol

4-bromo-2-(tert-butyliminomethyl)phenol (PubChem CID 681182) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-2-(tert-butyliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(tert-butyliminomethyl)phenol
PubChem CID681182
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-2-(tert-butyliminomethyl)phenol
SMILESCC(C)(C)/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/b13-7+
InChIKeyNHQOUGCHFVEMRF-NTUHNPAUSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-bromo-2-(tert-butyliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(tert-butyliminomethyl)phenol (CID 681182) is 4-bromo-2-(tert-butyliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(tert-butyliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(tert-butyliminomethyl)phenol is CC(C)(C)/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(tert-butyliminomethyl)phenol?
The InChIKey is NHQOUGCHFVEMRF-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,3)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/b13-7+.
What are the key properties of 4-bromo-2-(tert-butyliminomethyl)phenol?
4-bromo-2-(tert-butyliminomethyl)phenol has a molecular weight of 256.14 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(tert-butyliminomethyl)phenol is sourced from PubChem (CID 681182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).