4-Octadecylbenzene-1,3-diol
Basic information
- CAS
21093-23-2- Standard SMILES
CCCCCCCCCCCCCCCCCCc1ccc(O)cc1O- InChIKey
LWWXYKKZEDHOSM-UHFFFAOYSA-N- Molecular formula
- C24H42O2
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 362.31848058
Names & identifiers
- Preferred name
- 4-Octadecylbenzene-1,3-diol
- IUPAC
- 4-octadecylbenzene-1,3-diol
Names & synonyms
21093-23-24-octadecylbenzene-1,3-diolNSC 1633824-stearyl-resorcinolNSC163382SCHEMBL7794769DTXSID40303901NSC-163382
Database identifiers
- CAS
21093-23-2- PubChem CID
- 294577
- DTXSID
DTXSID40303901
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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