10-phenylmethoxyiminoanthracen-9-one

C21H15NO2 — CID 46855323

IUPAC10-phenylmethoxyiminoanthracen-9-one
SMILESO=C1c2ccccc2C(=NOCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H15NO2/c23-21-18-12-6-4-10-16(18)20(17-11-5-7-13-19(17)21)22-24-14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyWIBXGWOLZMNFRL-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.20
Rot. Bonds3

About 10-phenylmethoxyiminoanthracen-9-one

10-phenylmethoxyiminoanthracen-9-one (PubChem CID 46855323) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 10-phenylmethoxyiminoanthracen-9-one.

Molecular Properties

Compound Name10-phenylmethoxyiminoanthracen-9-one
PubChem CID46855323
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name10-phenylmethoxyiminoanthracen-9-one
SMILESO=C1c2ccccc2C(=NOCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H15NO2/c23-21-18-12-6-4-10-16(18)20(17-11-5-7-13-19(17)21)22-24-14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyWIBXGWOLZMNFRL-UHFFFAOYSA-N
XLogP4.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.20
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'}

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Related Compounds

4-Phenyl-1H-2,3-benzoxazin-1-one
CID 262685
4-[[(E)-Allyloxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid
CID 10135960
1-{[(4-Fluorobenzoyl)oxy]imino}-1,2,3,4-tetrahydronaphthalene
CID 5525181
1-{[(3-Methylbenzoyl)oxy]imino}-1,2,3,4-tetrahydronaphthalene
CID 9559952
1-{[(4-Methylbenzoyl)oxy]imino}-1,2,3,4-tetrahydronaphthalene
CID 9581709
4-[[(E)-Ethoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid
CID 10620598
4-[(Z)-N-ethoxy-C-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
CID 10644298
10-[(4-Chlorophenyl)methoxyimino]anthracen-9-one
CID 46855469
(Benzhydrylideneamino) benzoate
CID 243495
Acetophenone, 2'-(3,5-diphenyl-2-isoxazolin-5-yl)-
CID 613689
[(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate
CID 10916248
[(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate
CID 100923233

Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxyiminoanthracen-9-one?
The IUPAC name of 10-phenylmethoxyiminoanthracen-9-one (CID 46855323) is 10-phenylmethoxyiminoanthracen-9-one.
What is the SMILES notation for 10-phenylmethoxyiminoanthracen-9-one?
The canonical SMILES for 10-phenylmethoxyiminoanthracen-9-one is O=C1c2ccccc2C(=NOCc2ccccc2)c2ccccc21.
What is the InChIKey of 10-phenylmethoxyiminoanthracen-9-one?
The InChIKey is WIBXGWOLZMNFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21-18-12-6-4-10-16(18)20(17-11-5-7-13-19(17)21)22-24-14-15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of 10-phenylmethoxyiminoanthracen-9-one?
10-phenylmethoxyiminoanthracen-9-one has a molecular weight of 313.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxyiminoanthracen-9-one is sourced from PubChem (CID 46855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).