1,6-Diethoxybenzo(a)pyren-3-ol
Basic information
- CAS
74192-58-8- Standard SMILES
CCOc1cc(O)c2ccc3c(OCC)c4ccccc4c4ccc1c2c34- InChIKey
BLFYDPVWXYJCCD-UHFFFAOYSA-N- Molecular formula
- C24H20O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.1412445
Names & identifiers
- Preferred name
- 1,6-Diethoxybenzo(a)pyren-3-ol
- IUPAC
- 1,6-diethoxybenzo[a]pyren-3-ol
Names & synonyms
1,6-Diethoxybenzo(a)pyren-3-ol74192-58-81,6-diethoxybenzo[pqr]tetraphen-3-olDTXSID60225171
Database identifiers
- CAS
74192-58-8- PubChem CID
- 188152
- DTXSID
DTXSID60225171
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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