Basic information
- CAS
22717-93-7- Standard SMILES
Oc1cccc2ccc3ccc4ccccc4c3c12- InChIKey
XTPJJWPXQDJTPH-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Overview
Benzo[c]phenanthren-1-ol is a hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene. It has a role as a xenobiotic metabolite.
Names & identifiers
- Preferred name
- 1-Hydroxybenzo[c]phenanthrene
- IUPAC
- benzo[c]phenanthren-1-ol
Names & synonyms
Benzo[c]phenanthren-1-ol1-hydroxybenzo[c]phenanthreneBenzo(c)phenanthren-1-ol1-benzo[c]phenanthrenolCHEBI:132377DTXSID202946811-benzo(c)phenanthrenol1-Hydroxybenzo(c)phenanthreneRefChem:76019DTXCID7024582022717-93-7NSC 97675
Show more names
NSC97675hydroxybenzo[c]phenanthreneSCHEMBL2467605SCHEMBL143539892-hydroxy-n-(hydroxymethyl)acetamideAR-1E2678NSC-97675NS00076995
Database identifiers
- CAS
22717-93-7- PubChem CID
- 263244
- DTXSID
DTXSID20294681- ChEBI
CHEBI:132377- Nikkaji
- J1.684.622H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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