Basic information
- CAS
54540-76-0- Standard SMILES
CC1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCc3ccc(F)cc3)cc1OC2(C)C- InChIKey
IDJOGASRLKFGOQ-UHFFFAOYSA-N- Molecular formula
- C29H37FO2
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.27775858
Names & identifiers
- Preferred name
- 6H-Dibenzo(b,d)pyran-1-ol, 7,8,9,10-tetrahydro-3-(5-(p-fluorophenyl)-1,2-dimethylpentyl)-6,6,9-trimethyl-
- IUPAC
- 3-[6-(4-fluorophenyl)-3-methylhexan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
- English name
- 7,8,9,10-Tetrahydro-3-[5-(p-fluorophenyl)-1,2-dimethylpentyl]-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol
- Molecular formula
- C29H37FO2
- Molecular weight
- 436.6
Names & synonyms
54540-76-0BRN 14069536H-Dibenzo(b,d)pyran-1-ol, 7,8,9,10-tetrahydro-3-(5-(p-fluorophenyl)-1,2-dimethylpentyl)-6,6,9-trimethyl-RefChem:309608CHEMBL3274249SCHEMBL31545261DTXSID50969774DB-2966893-[6-(4-Fluorophenyl)-3-methylhexan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-ol7,8,9,10-Tetrahydro-3-[5-(p-fluorophenyl)-1,2-dimethylpentyl ]-6,6,9-trimethyl-6h-dibenzo[b,d]pyran-1-ol7,8,9,10-Tetrahydro-3-[5-(p-fluorophenyl)-1,2-dimethylpentyl]-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol6H-Dibenzo[b,d]pyran-1-ol, 3-[5-(4-fluorophenyl)-1,2-dimethylpentyl]-7,8,9,10-tetrahydro-6,6,9-trimethyl-
Database identifiers
- CAS
54540-76-0- PubChem CID
- 41121
- DTXSID
DTXSID50969774- ChEMBL
CHEMBL3274249- Nikkaji
- J72.875F
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Boiling point
- 548.6 · 548.6±50.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 10 · 10.00±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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