4-hydroxy-10-phenyliminoanthracen-9-one

C20H13NO2 — CID 136857426

IUPAC4-hydroxy-10-phenyliminoanthracen-9-one
SMILESO=C1c2ccccc2/C(=N\c2ccccc2)c2c(O)cccc21
InChIInChI=1S/C20H13NO2/c22-17-12-6-11-16-18(17)19(21-13-7-2-1-3-8-13)14-9-4-5-10-15(14)20(16)23/h1-12,22H/b21-19+
InChIKeyWNTJMLLJHRRPFY-XUTLUUPISA-N
MW299.33 g/mol
LogP4.11
Rot. Bonds1

About 4-hydroxy-10-phenyliminoanthracen-9-one

4-hydroxy-10-phenyliminoanthracen-9-one (PubChem CID 136857426) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-10-phenyliminoanthracen-9-one.

Molecular Properties

Compound Name4-hydroxy-10-phenyliminoanthracen-9-one
PubChem CID136857426
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name4-hydroxy-10-phenyliminoanthracen-9-one
SMILESO=C1c2ccccc2/C(=N\c2ccccc2)c2c(O)cccc21
InChIInChI=1S/C20H13NO2/c22-17-12-6-11-16-18(17)19(21-13-7-2-1-3-8-13)14-9-4-5-10-15(14)20(16)23/h1-12,22H/b21-19+
InChIKeyWNTJMLLJHRRPFY-XUTLUUPISA-N
XLogP4.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
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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Related Compounds

10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one
CID 137274049
10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
CID 135457303
CID 158452185
CID 158452185
1-hydroxy-8-nitrosoanthracene-9,10-dione
CID 118601713
1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one
CID 137175953
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
2-(4-tert-butylphenyl)sulfanyl-5-hydroxy-4-phenyliminonaphthalen-1-one
CID 137296820
3-butanoyl-4-hydroxy-2-phenyliminonaphthalen-1-one
CID 135503633
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
2,3-bis(2,2-diphenylhydrazinyl)-5-hydroxynaphthalene-1,4-dione
CID 13213807
1-methyl-3-phenyliminoindol-2-one
CID 11218587

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10-phenyliminoanthracen-9-one?
The IUPAC name of 4-hydroxy-10-phenyliminoanthracen-9-one (CID 136857426) is 4-hydroxy-10-phenyliminoanthracen-9-one.
What is the SMILES notation for 4-hydroxy-10-phenyliminoanthracen-9-one?
The canonical SMILES for 4-hydroxy-10-phenyliminoanthracen-9-one is O=C1c2ccccc2/C(=N\c2ccccc2)c2c(O)cccc21.
What is the InChIKey of 4-hydroxy-10-phenyliminoanthracen-9-one?
The InChIKey is WNTJMLLJHRRPFY-XUTLUUPISA-N. The full InChI is InChI=1S/C20H13NO2/c22-17-12-6-11-16-18(17)19(21-13-7-2-1-3-8-13)14-9-4-5-10-15(14)20(16)23/h1-12,22H/b21-19+.
What are the key properties of 4-hydroxy-10-phenyliminoanthracen-9-one?
4-hydroxy-10-phenyliminoanthracen-9-one has a molecular weight of 299.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10-phenyliminoanthracen-9-one is sourced from PubChem (CID 136857426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).