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

C22H17NO3 — CID 46855324

IUPAC10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17NO3/c1-25-16-12-10-15(11-13-16)14-26-23-21-17-6-2-4-8-19(17)22(24)20-9-5-3-7-18(20)21/h2-13H,14H2,1H3
InChIKeySZPSYAQZHDNFFF-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.21
Rot. Bonds4

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

10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one (PubChem CID 46855324) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one.

Molecular Properties

Compound Name10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
PubChem CID46855324
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17NO3/c1-25-16-12-10-15(11-13-16)14-26-23-21-17-6-2-4-8-19(17)22(24)20-9-5-3-7-18(20)21/h2-13H,14H2,1H3
InChIKeySZPSYAQZHDNFFF-UHFFFAOYSA-N
XLogP4.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The IUPAC name of 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one (CID 46855324) is 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one.
What is the SMILES notation for 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The canonical SMILES for 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one is COc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1.
What is the InChIKey of 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The InChIKey is SZPSYAQZHDNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-25-16-12-10-15(11-13-16)14-26-23-21-17-6-2-4-8-19(17)22(24)20-9-5-3-7-18(20)21/h2-13H,14H2,1H3.
What are the key properties of 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one has a molecular weight of 343.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one is sourced from PubChem (CID 46855324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).