Dibenzo(def,mno)chrysene-6-methanol
Basic information
- CAS
105708-72-3- Standard SMILES
OCc1c2cccc3ccc4cc5cccc6ccc1c(c65)c4c32- InChIKey
YWJXFEXZVZQIRV-UHFFFAOYSA-N- Molecular formula
- C23H14O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.10446507
Names & identifiers
- Preferred name
- Dibenzo(def,mno)chrysene-6-methanol
- IUPAC
- 12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanol
- English name
- 6-HYDROXYMETHYLANTHANTHRENE
- Molecular formula
- C23H14O
- Molecular weight
- 306.363
Names & synonyms
Dibenzo(def,mno)chrysene-6-methanol6-Hydroxymethylanthanthrene105708-72-3DTXSID20147264RefChem:337227DTXCID006975512-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanolNS00116066(Naphtho[7,8,1,2,3-nopqr]tetraphen-6-yl)methanol
Database identifiers
- CAS
105708-72-3- PubChem CID
- 149704
- DTXSID
DTXSID20147264- Nikkaji
- J617.314D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 386.97 °C · 386.97°C (rough estimate)
- Density
- 1.1647 · 1.1647 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
Chemistry & industry
Pharmacology
Metabolism/Metabolites6-hydroxymethylanthanthrene has known human metabolites that include 12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethyl hydrogen sulfate.
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Related reactions
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Compound notes
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