3-[6-(3-Hydroxyphenyl)decan-5-yl]phenol
Basic information
- CAS
68266-27-3- Standard SMILES
CCCCC(c1cccc(O)c1)C(CCCC)c1cccc(O)c1- InChIKey
TUIUBFPFLXPNFD-UHFFFAOYSA-N- Molecular formula
- C22H30O2
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.2245802
Names & identifiers
- Preferred name
- 3-[6-(3-Hydroxyphenyl)decan-5-yl]phenol
- IUPAC
- 3-[6-(3-hydroxyphenyl)decan-5-yl]phenol
Names & synonyms
68266-27-33-[6-(3-hydroxyphenyl)decan-5-yl]phenolNSC297172CHEMBL18629SCHEMBL11616882DTXSID003157623,3'-(Decane-5,6-diyl)diphenolNSC-297172
Database identifiers
- CAS
68266-27-3- PubChem CID
- 326252
- DTXSID
DTXSID00315762- ChEMBL
CHEMBL18629
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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