10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one

C22H17NO4 — CID 46855468

IUPAC10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1O
InChIInChI=1S/C22H17NO4/c1-26-20-11-10-14(12-19(20)24)13-27-23-21-15-6-2-4-8-17(15)22(25)18-9-5-3-7-16(18)21/h2-12,24H,13H2,1H3
InChIKeyBVBXLSFOVKUBES-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.91
Rot. Bonds4

About 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one

10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one (PubChem CID 46855468) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one.

Molecular Properties

Compound Name10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one
PubChem CID46855468
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1O
InChIInChI=1S/C22H17NO4/c1-26-20-11-10-14(12-19(20)24)13-27-23-21-15-6-2-4-8-17(15)22(25)18-9-5-3-7-16(18)21/h2-12,24H,13H2,1H3
InChIKeyBVBXLSFOVKUBES-UHFFFAOYSA-N
XLogP3.91
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one?
The IUPAC name of 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one (CID 46855468) is 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one.
What is the SMILES notation for 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one?
The canonical SMILES for 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one is COc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1O.
What is the InChIKey of 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one?
The InChIKey is BVBXLSFOVKUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-26-20-11-10-14(12-19(20)24)13-27-23-21-15-6-2-4-8-17(15)22(25)18-9-5-3-7-16(18)21/h2-12,24H,13H2,1H3.
What are the key properties of 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one?
10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one has a molecular weight of 359.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one is sourced from PubChem (CID 46855468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).