1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide

C13H10ClNO2 — CID 88776339

IUPAC1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide
SMILES[O-][N+](=Cc1ccccc1Cl)c1cccc(O)c1
InChIInChI=1S/C13H10ClNO2/c14-13-7-2-1-4-10(13)9-15(17)11-5-3-6-12(16)8-11/h1-9,16H
InChIKeyUWKCSPHAPGPUHH-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.31
Rot. Bonds2

About 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide

1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide (PubChem CID 88776339) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide
PubChem CID88776339
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide
SMILES[O-][N+](=Cc1ccccc1Cl)c1cccc(O)c1
InChIInChI=1S/C13H10ClNO2/c14-13-7-2-1-4-10(13)9-15(17)11-5-3-6-12(16)8-11/h1-9,16H
InChIKeyUWKCSPHAPGPUHH-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_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide
CID 88774814
1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide
CID 88775528
N-(3-chlorophenyl)-1-phenylmethanimine oxide
CID 12672716
1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene
CID 11529210
N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
CID 88775663
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
3-(3-chloro-2-nitrophenyl)phenol
CID 20816503
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
2-(2-chlorophenyl)-3-[2-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3521578

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide (CID 88776339) is 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide is [O-][N+](=Cc1ccccc1Cl)c1cccc(O)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide?
The InChIKey is UWKCSPHAPGPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-13-7-2-1-4-10(13)9-15(17)11-5-3-6-12(16)8-11/h1-9,16H.
What are the key properties of 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide?
1-(2-chlorophenyl)-N-(3-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-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide is sourced from PubChem (CID 88776339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).