10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one

C21H15NO3 — CID 10019453

IUPAC10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1O
InChIInChI=1S/C21H15NO3/c1-25-19-11-10-13(12-18(19)23)22-20-14-6-2-4-8-16(14)21(24)17-9-5-3-7-15(17)20/h2-12,23H,1H3
InChIKeyXFXVKITUMQWGBS-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.11
Rot. Bonds2

About 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one

10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one (PubChem CID 10019453) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
PubChem CID10019453
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1O
InChIInChI=1S/C21H15NO3/c1-25-19-11-10-13(12-18(19)23)22-20-14-6-2-4-8-16(14)21(24)17-9-5-3-7-15(17)20/h2-12,23H,1H3
InChIKeyXFXVKITUMQWGBS-UHFFFAOYSA-N
XLogP4.11
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one?
The IUPAC name of 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one (CID 10019453) is 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one.
What is the SMILES notation for 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one?
The canonical SMILES for 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one is COc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1O.
What is the InChIKey of 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one?
The InChIKey is XFXVKITUMQWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-25-19-11-10-13(12-18(19)23)22-20-14-6-2-4-8-16(14)21(24)17-9-5-3-7-15(17)20/h2-12,23H,1H3.
What are the key properties of 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one?
10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one has a molecular weight of 329.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxy-4-methoxyphenyl)iminoanthracen-9-one is sourced from PubChem (CID 10019453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).