2-(benzyliminomethyl)-4-bromophenol

C14H12BrNO — CID 681192

IUPAC2-(benzyliminomethyl)-4-bromophenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12BrNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h1-8,10,17H,9H2/b16-10+
InChIKeySJEGBGIPJQOGGF-MHWRWJLKSA-N
MW290.16 g/mol
LogP3.77
Rot. Bonds3

About 2-(benzyliminomethyl)-4-bromophenol

2-(benzyliminomethyl)-4-bromophenol (PubChem CID 681192) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(benzyliminomethyl)-4-bromophenol.

Molecular Properties

Compound Name2-(benzyliminomethyl)-4-bromophenol
PubChem CID681192
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-(benzyliminomethyl)-4-bromophenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12BrNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h1-8,10,17H,9H2/b16-10+
InChIKeySJEGBGIPJQOGGF-MHWRWJLKSA-N
XLogP3.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.77
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-bromophenol?
The IUPAC name of 2-(benzyliminomethyl)-4-bromophenol (CID 681192) is 2-(benzyliminomethyl)-4-bromophenol.
What is the SMILES notation for 2-(benzyliminomethyl)-4-bromophenol?
The canonical SMILES for 2-(benzyliminomethyl)-4-bromophenol is Oc1ccc(Br)cc1/C=N/Cc1ccccc1.
What is the InChIKey of 2-(benzyliminomethyl)-4-bromophenol?
The InChIKey is SJEGBGIPJQOGGF-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h1-8,10,17H,9H2/b16-10+.
What are the key properties of 2-(benzyliminomethyl)-4-bromophenol?
2-(benzyliminomethyl)-4-bromophenol has a molecular weight of 290.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyliminomethyl)-4-bromophenol is sourced from PubChem (CID 681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).