Basic information
- CAS
56803-43-1- Standard SMILES
Cc1ccc2cc3c(cc(-c4ccccc4O)c4ccccc43)c3c2c1CC3- InChIKey
XYLWWURMPDIFDV-UHFFFAOYSA-N- Molecular formula
- C27H20O
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15141526
Names & identifiers
- Preferred name
- Phenol, (1,2-dihydro-3-methylbenz(j)aceanthrylen-11-yl)-
- IUPAC
- 2-(3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-yl)phenol
Names & synonyms
3-Methylcholanthrene-11-phenol56803-43-1Phenol, (1,2-dihydro-3-methylbenz(j)aceanthrylen-11-yl)-Benz(j)aceanthrylene, phenol deriv.DTXSID902053602-(3-methyl-1,2-dihydrocyclopenta[ij]tetraphen-11-yl)phenol
Database identifiers
- CAS
56803-43-1- PubChem CID
- 148784
- DTXSID
DTXSID90205360
Properties
Computed structural properties
- XLogP
- 7.6
- 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
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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