Basic information
- CAS
30230-52-5- Standard SMILES
CCc1ccc(C)cc1O.CCc1ccc(O)c(C)c1.CCc1cccc(O)c1C- InChIKey
CIOIFXPZFZXZTN-UHFFFAOYSA-N- Molecular formula
- C27H36O3
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.26644501
Names & identifiers
- Preferred name
- Unii-X22CE72unh
- IUPAC
- 2-ethyl-5-methylphenol;3-ethyl-2-methylphenol;4-ethyl-2-methylphenol
Names & synonyms
UNII-X22CE72UNH30230-52-5X22CE72UNHCIOIFXPZFZXZTN-UHFFFAOYSA-N
Database identifiers
- CAS
30230-52-5- PubChem CID
- 34856
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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