10-(4-methoxyphenyl)iminoanthracen-9-one

C21H15NO2 — CID 56682052

IUPAC10-(4-methoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C21H15NO2/c1-24-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)21(23)19-9-5-3-7-17(19)20/h2-13H,1H3
InChIKeyCSWCEFUOSXPTLM-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.41
Rot. Bonds2

About 10-(4-methoxyphenyl)iminoanthracen-9-one

10-(4-methoxyphenyl)iminoanthracen-9-one (PubChem CID 56682052) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name10-(4-methoxyphenyl)iminoanthracen-9-one
PubChem CID56682052
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name10-(4-methoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C21H15NO2/c1-24-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)21(23)19-9-5-3-7-17(19)20/h2-13H,1H3
InChIKeyCSWCEFUOSXPTLM-UHFFFAOYSA-N
XLogP4.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)iminoanthracen-9-one?
The IUPAC name of 10-(4-methoxyphenyl)iminoanthracen-9-one (CID 56682052) is 10-(4-methoxyphenyl)iminoanthracen-9-one.
What is the SMILES notation for 10-(4-methoxyphenyl)iminoanthracen-9-one?
The canonical SMILES for 10-(4-methoxyphenyl)iminoanthracen-9-one is COc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)iminoanthracen-9-one?
The InChIKey is CSWCEFUOSXPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-24-15-12-10-14(11-13-15)22-20-16-6-2-4-8-18(16)21(23)19-9-5-3-7-17(19)20/h2-13H,1H3.
What are the key properties of 10-(4-methoxyphenyl)iminoanthracen-9-one?
10-(4-methoxyphenyl)iminoanthracen-9-one has a molecular weight of 313.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)iminoanthracen-9-one is sourced from PubChem (CID 56682052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).