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2,5-Dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one

HCID 330628
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Basic information

CAS
22905-22-2
Standard SMILES
COc1cc2oc3c(Cl)c(OC)cc(C)c3c(=O)c2c(O)c1Cl
InChIKey
IXVOEBPULFILGH-UHFFFAOYSA-N
Molecular formula
C16H12Cl2O5
Average molar mass
355.2 g/mol
Monoisotopic mass
354.0061789

Overview

2,5-Dichlorolichexanthone is a member of xanthones.

Names & identifiers

Preferred name
2,5-Dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one
IUPAC
2,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one
English name
2,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-xanthen-9-one
Molecular formula
C16H12Cl2O5
Molecular weight
355.17

Names & synonyms

22905-22-22,5-DICHLORO-1-HYDROXY-3,6-DIMETHOXY-8-METHYL-9H-XANTHEN-9-ONENSC 319714XANTHONE 3NSC3197142,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one"2,5-Dichlorolichexanthone"DTXSID10317676CHEBI:144122NSC-3197142,5-Dichloro-3,6-di-O-methylnorlichexant2,5-Dichlorolichexanthone
Show more names
2,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-xanthen-9-one9H-Xanthen-9-one, 2,5-dichloro-1-hydroxy-3,6-dimethoxy-8-methyl-

Database identifiers

CAS
22905-22-2
PubChem CID
330628
DTXSID
DTXSID10317676
ChEBI
CHEBI:144122
Nikkaji
J83.232D

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
462

Chemistry & industry

Additional notes

DefinitionChEBI: 2,5-Dichlorolichexanthone is a member of xanthones.

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