Diospyrol
Basic information
- CAS
17667-23-1- Standard SMILES
Cc1cc(O)c2c(O)c(-c3ccc4cc(C)cc(O)c4c3O)ccc2c1- InChIKey
ATGBDIJBTXFUFY-UHFFFAOYSA-N- Molecular formula
- C22H18O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.12050905
Overview
Diospyrol has been reported in Diospyros mollis with data available.
Names & identifiers
- Preferred name
- Diospyrol
- IUPAC
- 2-(1,8-dihydroxy-6-methylnaphthalen-2-yl)-6-methylnaphthalene-1,8-diol
- English name
- diospyrol
- Molecular formula
- C22H18O4
- Molecular weight
- 346.38
Names & synonyms
Diospyrol17667-23-1GR0O6J59FDNSC-2944352-(1,8-dihydroxy-6-methylnaphthalen-2-yl)-6-methylnaphthalene-1,8-diolDTXSID30170169(2,2'-BINAPHTHALENE)-1,1'-8,8'-TETROL, 6,6'-DIMETHYL-RefChem:134567DTXCID50926606,6'-Dimethyl[2,2'-binaphthalene]-1,1',8,8'-tetrolNSC 294435BRN 2064741
Show more names
[2,2'-Binaphthalene]-1,1',8,8'-tetrol, 6,6'-dimethyl-
6,6'-DIMETHYL(2,2'-BINAPHTHALENE)-1,1',8,8'-TETROL6,6'-Dimethyl-(2,2'-binaphthalene)-1,1',8,8'-tetrolUNII-GR0O6J59FD4-06-00-07839 (Beilstein Handbook Reference)SCHEMBL18068457SCHEMBL29367799NSC2944356,6'-dimethyl-2,2'-binaphthalene-1,1',8,8'-tetrol
Database identifiers
- CAS
17667-23-1- PubChem CID
- 28681
- DTXSID
DTXSID30170169- UNII
- GR0O6J59FD
- Nikkaji
- J14.447I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 401.12 °C · 401.12°C (rough estimate)
- Density
- 1.1425 · 1.1425 (rough estimate)
- refractive index
- 1.44 · 1.4400 (estimate)
- FDA UNII
- 0 O6J59FD · GR0O6J59FD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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