Basic information
- CAS
74192-57-7- Standard SMILES
COc1c2ccccc2c2ccc3c(O)ccc4ccc1c2c43- InChIKey
PDXXUTPLRGAPEL-UHFFFAOYSA-N- Molecular formula
- C21H14O2
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.09937969
Names & identifiers
- Preferred name
- 6-Methoxybenzo(a)pyren-1-ol
- IUPAC
- 6-methoxybenzo[a]pyren-1-ol
Names & synonyms
6-Methoxybenzo(a)pyren-1-ol74192-57-76-methoxybenzo[pqr]tetraphen-1-olDTXSID00225170
Database identifiers
- CAS
74192-57-7- PubChem CID
- 188151
- DTXSID
DTXSID00225170
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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