4,5-Dihydroxy-1-methyl-anthraquinone
Basic information
- Standard SMILES
Cc1ccc(O)c2c1C(=O)c1cccc(O)c1C2=O- InChIKey
SRVOZHBUHVINKL-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Overview
4,5-dihydroxy-1-methyl-anthraquinone is an anthraquinone.
Names & identifiers
- Preferred name
- 4,5-Dihydroxy-1-methyl-anthraquinone
- IUPAC
- 4,5-dihydroxy-1-methylanthracene-9,10-dione
Names & synonyms
4,5-dihydroxy-1-methyl-anthraquinone1,8-dihydroxy-4-methylanthraquinone4,5-dihydroxy-1-methylanthracene-9,10-dioneCHEMBL473668SCHEMBL17867335CHEBI:223644DTXSID401334420
Database identifiers
- PubChem CID
- 10244017
- DTXSID
DTXSID401334420- ChEMBL
CHEMBL473668- ChEBI
CHEBI:223644- Nikkaji
- J1.349.016C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
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Related reactions
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Compound notes
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