Basic information
- Standard SMILES
COC(=O)c1ccc(Oc2ccc(N)cc2N)cc1C(=O)OC- InChIKey
LGPZKIDWNNDGDK-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5
- Average molar mass
- 316.31 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-Diaminophenoxy)phthalic acid dimethyl ester
- IUPAC
- dimethyl 4-(2,4-diaminophenoxy)benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL7118203LGPZKIDWNNDGDK-UHFFFAOYSA-N4-(2,4-diaminophenoxy)phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 69994331
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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