10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one

C20H11Cl2NO2 — CID 137274049

IUPAC10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one
SMILESO=C1c2ccccc2/C(=N\c2ccc(Cl)cc2Cl)c2c(O)cccc21
InChIInChI=1S/C20H11Cl2NO2/c21-11-8-9-16(15(22)10-11)23-19-12-4-1-2-5-13(12)20(25)14-6-3-7-17(24)18(14)19/h1-10,24H/b23-19+
InChIKeyPZEBUNQMMQOYQU-FCDQGJHFSA-N
MW368.22 g/mol
LogP5.41
Rot. Bonds1

About 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one

10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one (PubChem CID 137274049) has the molecular formula C20H11Cl2NO2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one.

Molecular Properties

Compound Name10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one
PubChem CID137274049
Molecular FormulaC20H11Cl2NO2
Molecular Weight368.22 g/mol
Exact Mass367.02
IUPAC Name10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one
SMILESO=C1c2ccccc2/C(=N\c2ccc(Cl)cc2Cl)c2c(O)cccc21
InChIInChI=1S/C20H11Cl2NO2/c21-11-8-9-16(15(22)10-11)23-19-12-4-1-2-5-13(12)20(25)14-6-3-7-17(24)18(14)19/h1-10,24H/b23-19+
InChIKeyPZEBUNQMMQOYQU-FCDQGJHFSA-N
XLogP5.41
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.41
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

4-hydroxy-10-phenyliminoanthracen-9-one
CID 136857426
10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
CID 135457303
10-(2-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10471763
CID 158452185
CID 158452185
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
2-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135488854
2,4-dichloro-N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)benzenesulfonamide
CID 175227931
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-chloroanthracene-9,10-dione;ethane;2-methylanthracene-9,10-dione
CID 174912168
1-hydroxy-8-nitrosoanthracene-9,10-dione
CID 118601713
7-chloro-1-(methylamino)anthracene-9,10-dione
CID 71399366
3-chlorophenanthrene-9,10-dione
CID 67151037

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one?
The IUPAC name of 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one (CID 137274049) is 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one.
What is the SMILES notation for 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one?
The canonical SMILES for 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one is O=C1c2ccccc2/C(=N\c2ccc(Cl)cc2Cl)c2c(O)cccc21.
What is the InChIKey of 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one?
The InChIKey is PZEBUNQMMQOYQU-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H11Cl2NO2/c21-11-8-9-16(15(22)10-11)23-19-12-4-1-2-5-13(12)20(25)14-6-3-7-17(24)18(14)19/h1-10,24H/b23-19+.
What are the key properties of 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one?
10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one has a molecular weight of 368.22 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one is sourced from PubChem (CID 137274049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).