Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C21H34O2
- Molecular weight
- 318.5 g/mol
- IUPAC name
- 2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
- SMILES
- CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O
- InChIKey
- ZWWRREXSUJTKNN-AEFFLSMTSA-N
- XLogP
- 6.7
- Polar surface area
- 40.5 Ų
- H-bond donors
- 2
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Has part
- carbon
- Mass
- 318.25588032799993
Show 4 more facts
- canonical SMILES
- CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
- chemical formula
- C₂₁H₃₄O₂
- Commons category
- CP-47,497
- isomeric SMILES
- CCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@H](O)C2)c(O)c1
Sources (2)
via Wikidata · CC0