10-[(4-chlorophenyl)methoxyimino]anthracen-9-one

C21H14ClNO2 — CID 46855469

IUPAC10-[(4-chlorophenyl)methoxyimino]anthracen-9-one
SMILESO=C1c2ccccc2C(=NOCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C21H14ClNO2/c22-15-11-9-14(10-12-15)13-25-23-20-16-5-1-3-7-18(16)21(24)19-8-4-2-6-17(19)20/h1-12H,13H2
InChIKeyHRBLVJSDAGRMTB-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.85
Rot. Bonds3

About 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one

10-[(4-chlorophenyl)methoxyimino]anthracen-9-one (PubChem CID 46855469) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one.

Molecular Properties

Compound Name10-[(4-chlorophenyl)methoxyimino]anthracen-9-one
PubChem CID46855469
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name10-[(4-chlorophenyl)methoxyimino]anthracen-9-one
SMILESO=C1c2ccccc2C(=NOCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C21H14ClNO2/c22-15-11-9-14(10-12-15)13-25-23-20-16-5-1-3-7-18(16)21(24)19-8-4-2-6-17(19)20/h1-12H,13H2
InChIKeyHRBLVJSDAGRMTB-UHFFFAOYSA-N
XLogP4.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one 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 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one?
The IUPAC name of 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one (CID 46855469) is 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one.
What is the SMILES notation for 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one?
The canonical SMILES for 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one is O=C1c2ccccc2C(=NOCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one?
The InChIKey is HRBLVJSDAGRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-15-11-9-14(10-12-15)13-25-23-20-16-5-1-3-7-18(16)21(24)19-8-4-2-6-17(19)20/h1-12H,13H2.
What are the key properties of 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one?
10-[(4-chlorophenyl)methoxyimino]anthracen-9-one has a molecular weight of 347.80 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)methoxyimino]anthracen-9-one is sourced from PubChem (CID 46855469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).