Basic information
- CAS
595550-17-7- Standard SMILES
Cc1ccc(O)c(C)c1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1- InChIKey
FJXKSMYQNOCSLM-UHFFFAOYSA-N- Molecular formula
- C26H30O3
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.21949481
Names & identifiers
- Preferred name
- 2,4-Dimethylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
- IUPAC
- 2,4-dimethylphenol;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
Names & synonyms
595550-17-7DTXSID507871172,4-Dimethylphenol--2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol (1/1)
Database identifiers
- CAS
595550-17-7- PubChem CID
- 71363601
- DTXSID
DTXSID50787117
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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