3-(benzyliminomethyl)benzene-1,2-diol

C14H13NO2 — CID 693332

IUPAC3-(benzyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/Cc2ccccc2)c1O
InChIInChI=1S/C14H13NO2/c16-13-8-4-7-12(14(13)17)10-15-9-11-5-2-1-3-6-11/h1-8,10,16-17H,9H2/b15-10+
InChIKeyKPXVMHSEGZWIOA-XNTDXEJSSA-N
MW227.26 g/mol
LogP2.72
Rot. Bonds3

About 3-(benzyliminomethyl)benzene-1,2-diol

3-(benzyliminomethyl)benzene-1,2-diol (PubChem CID 693332) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(benzyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(benzyliminomethyl)benzene-1,2-diol
PubChem CID693332
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(benzyliminomethyl)benzene-1,2-diol
SMILESOc1cccc(/C=N/Cc2ccccc2)c1O
InChIInChI=1S/C14H13NO2/c16-13-8-4-7-12(14(13)17)10-15-9-11-5-2-1-3-6-11/h1-8,10,16-17H,9H2/b15-10+
InChIKeyKPXVMHSEGZWIOA-XNTDXEJSSA-N
XLogP2.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzyliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(benzyliminomethyl)benzene-1,2-diol (CID 693332) is 3-(benzyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(benzyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(benzyliminomethyl)benzene-1,2-diol is Oc1cccc(/C=N/Cc2ccccc2)c1O.
What is the InChIKey of 3-(benzyliminomethyl)benzene-1,2-diol?
The InChIKey is KPXVMHSEGZWIOA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-8-4-7-12(14(13)17)10-15-9-11-5-2-1-3-6-11/h1-8,10,16-17H,9H2/b15-10+.
What are the key properties of 3-(benzyliminomethyl)benzene-1,2-diol?
3-(benzyliminomethyl)benzene-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 693332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).