2-(benzyliminomethyl)-4,6-dibromophenol

C14H11Br2NO — CID 1241574

IUPAC2-(benzyliminomethyl)-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H11Br2NO/c15-12-6-11(14(18)13(16)7-12)9-17-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2/b17-9+
InChIKeyMBAKLDOTTWOQOV-RQZCQDPDSA-N
MW369.06 g/mol
LogP4.54
Rot. Bonds3

About 2-(benzyliminomethyl)-4,6-dibromophenol

2-(benzyliminomethyl)-4,6-dibromophenol (PubChem CID 1241574) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 2-(benzyliminomethyl)-4,6-dibromophenol.

Molecular Properties

Compound Name2-(benzyliminomethyl)-4,6-dibromophenol
PubChem CID1241574
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name2-(benzyliminomethyl)-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H11Br2NO/c15-12-6-11(14(18)13(16)7-12)9-17-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2/b17-9+
InChIKeyMBAKLDOTTWOQOV-RQZCQDPDSA-N
XLogP4.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.54
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 2-(benzyliminomethyl)-4,6-dibromophenol?
The IUPAC name of 2-(benzyliminomethyl)-4,6-dibromophenol (CID 1241574) is 2-(benzyliminomethyl)-4,6-dibromophenol.
What is the SMILES notation for 2-(benzyliminomethyl)-4,6-dibromophenol?
The canonical SMILES for 2-(benzyliminomethyl)-4,6-dibromophenol is Oc1c(Br)cc(Br)cc1/C=N/Cc1ccccc1.
What is the InChIKey of 2-(benzyliminomethyl)-4,6-dibromophenol?
The InChIKey is MBAKLDOTTWOQOV-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Br2NO/c15-12-6-11(14(18)13(16)7-12)9-17-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2/b17-9+.
What are the key properties of 2-(benzyliminomethyl)-4,6-dibromophenol?
2-(benzyliminomethyl)-4,6-dibromophenol has a molecular weight of 369.06 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyliminomethyl)-4,6-dibromophenol is sourced from PubChem (CID 1241574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).