Basic information
- CAS
111189-56-1- Standard SMILES
OC1CCCC(c2ccc3ccc4c(Cl)c5ccccc5c5ccc2c3c45)C1- InChIKey
DMRGCEPLBITSLQ-UHFFFAOYSA-N- Molecular formula
- C26H21ClO
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.128093
Names & identifiers
- Preferred name
- 3-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-ol
- IUPAC
- 3-(6-chlorobenzo[a]pyren-1-yl)cyclohexan-1-ol
Names & synonyms
111189-56-13-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-olDTXSID009120383-(6-Chlorobenzo[pqr]tetraphen-1-yl)cyclohexan-1-ol
Database identifiers
- CAS
111189-56-1- PubChem CID
- 183201
- DTXSID
DTXSID00912038
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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