4,4'-(2,3-Quinoxalinediyl)DI(1,3-dihydroxybenzene)
Basic information
- CAS
5336-15-2- Standard SMILES
Oc1ccc(-c2nc3ccccc3nc2-c2ccc(O)cc2O)c(O)c1- InChIKey
ULWCCWZXYSGZSX-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.09535693
Names & identifiers
- Preferred name
- 4,4'-(2,3-Quinoxalinediyl)DI(1,3-dihydroxybenzene)
- IUPAC
- 4-[3-(2,4-dihydroxyphenyl)quinoxalin-2-yl]benzene-1,3-diol
Names & synonyms
MLS0026375465336-15-2NSC1039CHEMBL1716354DTXSID104213234,4'-(2,3-QUINOXALINEDIYL)DI(1,3-DIHYDROXYBENZENE)HMS3078G11NSC-1039SMR0015470804,3-QUINOXALINEDIYL)DI(1,3-DIHYDROXYBENZENE)(4Z,4'Z)-4,4'-(1,4-Dihydroquinoxaline-2,3-diylidene)bis(3-hydroxycyclohexa-2,5-dien-1-one)
Database identifiers
- CAS
5336-15-2- PubChem CID
- 219583
- DTXSID
DTXSID10421323- ChEMBL
CHEMBL1716354
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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