Basic information
- CAS
16720-03-9- Standard SMILES
CC1(C)Oc2cc(O)cc(O)c2C2=C1CCCC2- InChIKey
INDSXFNQCMKBOI-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- 6H-Dibenzo(b,d)pyran-1,3-diol, 6,6-dimethyl-7,8,9,10-tetrahydro-
- IUPAC
- 6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,3-diol
- English name
- 7,8,9,10-Tetrahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,3-diol
- Molecular formula
- C15H18O3
- Molecular weight
- 246.3
Names & synonyms
16720-03-96,6-Dimethyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-1,3-diol6H-DIBENZO(b,d)PYRAN-1,3-DIOL, 6,6-DIMETHYL-7,8,9,10-TETRAHYDRO-DTXSID101682466,6-Dimethyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1,3-diolRefChem:309601DTXCID70907376,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,3-diol7,8,9,10-Tetrahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,3-diol6H-Dibenzo[b,d]pyran-1,3-diol, 7,8,9,10-tetrahydro-6,6-dimethyl-
Database identifiers
- CAS
16720-03-9- PubChem CID
- 28010
- DTXSID
DTXSID10168246- Nikkaji
- J42.208H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 453.2 · 453.2±40.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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