Basic information
- CAS
18787-79-6- Standard SMILES
Cc1c2ccccc2c(CO)c2c1ccc1c(O)cccc12- InChIKey
HOQKJCIBWFVFMH-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-12-methanol, 4-hydroxy-7-methyl-
- IUPAC
- 12-(hydroxymethyl)-7-methylbenzo[a]anthracen-4-ol
Names & synonyms
4-Hydroxy-7-methylbenz(a)anthracene-12-methanol18787-79-6Benz(a)anthracene-12-methanol, 4-hydroxy-7-methyl-DTXSID10172106RefChem:321033DTXCID309459712-(HYDROXYMETHYL)-7-METHYLTETRAPHEN-4-OL
Database identifiers
- CAS
18787-79-6- PubChem CID
- 167752
- DTXSID
DTXSID10172106
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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