Basic information
- CAS
827022-19-5- Standard SMILES
Oc1ccc2ccc(O)c(Cc3c(O)ccc4ccccc34)c2c1- InChIKey
ITXPAGZBOIYYTQ-UHFFFAOYSA-N- Molecular formula
- C21H16O3
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.10994437
Names & identifiers
- Preferred name
- 1-[(2-Hydroxynaphthalen-1-yl)methyl]naphthalene-2,7-diol
- IUPAC
- 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalene-2,7-diol
Names & synonyms
827022-19-51-[(2-Hydroxynaphthalen-1-yl)methyl]naphthalene-2,7-diolSCHEMBL1031111DTXSID30597958
Database identifiers
- CAS
827022-19-5- PubChem CID
- 19089005
- DTXSID
DTXSID30597958
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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