2-Cyclooctylbenzene-1,4-diol
Basic information
- CAS
4197-84-6- Standard SMILES
Oc1ccc(O)c(C2CCCCCCC2)c1- InChIKey
OCFACRWFEFGYDB-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-Cyclooctylbenzene-1,4-diol
- IUPAC
- 2-cyclooctylbenzene-1,4-diol
Names & synonyms
4197-84-62-cyclooctylbenzene-1,4-diolNSC99308hydroquinone derivative, 1bNCIOpen2_006553CHEMBL481037BDBM34124DTXSID00295015NSC-99308
Database identifiers
- CAS
4197-84-6- PubChem CID
- 264273
- DTXSID
DTXSID00295015- ChEMBL
CHEMBL481037- Nikkaji
- J2.446.995F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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