4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol

C10H12BrNO2 — CID 136617398

IUPAC4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol
SMILESCC(CO)/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H12BrNO2/c1-7(6-13)12-5-8-4-9(11)2-3-10(8)14/h2-5,7,13-14H,6H2,1H3/b12-5+
InChIKeyGPUUGFQQMUNJPS-LFYBBSHMSA-N
MW258.11 g/mol
LogP1.95
Rot. Bonds3

About 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol

4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol (PubChem CID 136617398) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol
PubChem CID136617398
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol
SMILESCC(CO)/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H12BrNO2/c1-7(6-13)12-5-8-4-9(11)2-3-10(8)14/h2-5,7,13-14H,6H2,1H3/b12-5+
InChIKeyGPUUGFQQMUNJPS-LFYBBSHMSA-N
XLogP1.95
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.95
H-Bond Donors ≤ 52
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 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol (CID 136617398) is 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol is CC(CO)/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol?
The InChIKey is GPUUGFQQMUNJPS-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(6-13)12-5-8-4-9(11)2-3-10(8)14/h2-5,7,13-14H,6H2,1H3/b12-5+.
What are the key properties of 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol?
4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol has a molecular weight of 258.11 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxypropan-2-yliminomethyl)phenol is sourced from PubChem (CID 136617398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).