1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide

C13H10ClNO2 — CID 88774491

IUPAC1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide
SMILES[O-][N+](=Cc1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C13H10ClNO2/c14-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)16/h1-9,16H
InChIKeyZZDPIFIXSRMPGZ-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide

1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide (PubChem CID 88774491) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide
PubChem CID88774491
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide
SMILES[O-][N+](=Cc1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C13H10ClNO2/c14-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)16/h1-9,16H
InChIKeyZZDPIFIXSRMPGZ-UHFFFAOYSA-N
XLogP3.31
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide with MolForge

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

Launch Full Analysis

Related Compounds

CID 74479
CID 74479
CID 94755
CID 94755
CID 137851
CID 137851
CID 305093
CID 305093
CID 345771
CID 345771
CID 219809
CID 219809
CID 270035
CID 270035
CID 677291
CID 677291
CID 868344
CID 868344
CID 868511
CID 868511
CID 139957
CID 139957
CID 219805
CID 219805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide (CID 88774491) is 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide is [O-][N+](=Cc1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide?
The InChIKey is ZZDPIFIXSRMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)16/h1-9,16H.
What are the key properties of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide?
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide has a molecular weight of 247.68 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide is sourced from PubChem (CID 88774491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).