1-Amino-6-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione

HCID 20188043

Notes Reactions

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Basic information

CAS: 88604-95-9
Standard SMILES: Nc1c(OCCc2ccccc2)cc(O)c2c1C(=O)c1ccc(Cl)cc1C2=O
InChIKey: WAKPVNFAWXFABN-UHFFFAOYSA-N
Molecular formula: C22H16ClNO4
Average molar mass: 393.8 g/mol
Monoisotopic mass: 393.0767857

Names & identifiers

Preferred name: 1-Amino-6-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione
IUPAC: 1-amino-6-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione

Names & synonyms

88604-95-91-Amino-6-chloro-4-hydroxy-2-phenethoxyanthracene-9,10-dione1-Amino-6-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dioneSCHEMBL10778184DTXSID90603327WAKPVNFAWXFABN-UHFFFAOYSA-N1-amino-2-(2-phenylethoxy)-4-hydroxy-6-chloroanthraquinone

Database identifiers

CAS: 88604-95-9
PubChem CID: 20188043
DTXSID: DTXSID90603327

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 89.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 593

Related reactions

2 records

New reaction record

HRID 1789323As productuspto-grants-1987_08

HRID 2159580As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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