2-benzyliminoethanol

C9H11NO — CID 67788233

IUPAC2-benzyliminoethanol
SMILESOC/C=N/Cc1ccccc1
InChIInChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-6,11H,7-8H2/b10-6+
InChIKeyWXTRZWLHLFVKPZ-UXBLZVDNSA-N
MW149.19 g/mol
LogP1.25
Rot. Bonds3

About 2-benzyliminoethanol

2-benzyliminoethanol (PubChem CID 67788233) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-benzyliminoethanol.

Molecular Properties

Compound Name2-benzyliminoethanol
PubChem CID67788233
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-benzyliminoethanol
SMILESOC/C=N/Cc1ccccc1
InChIInChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-6,11H,7-8H2/b10-6+
InChIKeyWXTRZWLHLFVKPZ-UXBLZVDNSA-N
XLogP1.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.25
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-benzyliminoethanol?
The IUPAC name of 2-benzyliminoethanol (CID 67788233) is 2-benzyliminoethanol.
What is the SMILES notation for 2-benzyliminoethanol?
The canonical SMILES for 2-benzyliminoethanol is OC/C=N/Cc1ccccc1.
What is the InChIKey of 2-benzyliminoethanol?
The InChIKey is WXTRZWLHLFVKPZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-6,11H,7-8H2/b10-6+.
What are the key properties of 2-benzyliminoethanol?
2-benzyliminoethanol has a molecular weight of 149.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyliminoethanol is sourced from PubChem (CID 67788233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).