2-(benzyliminomethyl)-6-chlorophenol

C14H12ClNO — CID 165349196

IUPAC2-(benzyliminomethyl)-6-chlorophenol
SMILESOc1c(Cl)cccc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12ClNO/c15-13-8-4-7-12(14(13)17)10-16-9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b16-10+
InChIKeyMJNXHYPOVLBUEZ-MHWRWJLKSA-N
MW245.71 g/mol
LogP3.66
Rot. Bonds3

About 2-(benzyliminomethyl)-6-chlorophenol

2-(benzyliminomethyl)-6-chlorophenol (PubChem CID 165349196) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(benzyliminomethyl)-6-chlorophenol.

Molecular Properties

Compound Name2-(benzyliminomethyl)-6-chlorophenol
PubChem CID165349196
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-(benzyliminomethyl)-6-chlorophenol
SMILESOc1c(Cl)cccc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12ClNO/c15-13-8-4-7-12(14(13)17)10-16-9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b16-10+
InChIKeyMJNXHYPOVLBUEZ-MHWRWJLKSA-N
XLogP3.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(benzyliminomethyl)-6-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzyliminomethyl)-6-chlorophenol?
The IUPAC name of 2-(benzyliminomethyl)-6-chlorophenol (CID 165349196) is 2-(benzyliminomethyl)-6-chlorophenol.
What is the SMILES notation for 2-(benzyliminomethyl)-6-chlorophenol?
The canonical SMILES for 2-(benzyliminomethyl)-6-chlorophenol is Oc1c(Cl)cccc1/C=N/Cc1ccccc1.
What is the InChIKey of 2-(benzyliminomethyl)-6-chlorophenol?
The InChIKey is MJNXHYPOVLBUEZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13-8-4-7-12(14(13)17)10-16-9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b16-10+.
What are the key properties of 2-(benzyliminomethyl)-6-chlorophenol?
2-(benzyliminomethyl)-6-chlorophenol has a molecular weight of 245.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyliminomethyl)-6-chlorophenol is sourced from PubChem (CID 165349196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).