3-Heptadecylphenol
Basic information
- CAS
78636-94-9- Standard SMILES
CCCCCCCCCCCCCCCCCc1cccc(O)c1- InChIKey
UFAKFKCECWXXFP-UHFFFAOYSA-N- Molecular formula
- C23H40O
- Average molar mass
- 332.6 g/mol
- Monoisotopic mass
- 332.3079159
Overview
3-Heptadecylphenol has been reported in Schistochila appendiculata and Tapirira obtusa with data available.
Names & identifiers
- Preferred name
- 3-Heptadecylphenol
- IUPAC
- 3-heptadecylphenol
Names & synonyms
3-heptadecylphenol78636-94-9DTXSID20310653RefChem:94005DTXCID402617793-heptadecyl phenolNSC229597orb3179672SCHEMBL17727863LMPK15010005NSC-229597
Database identifiers
- CAS
78636-94-9- PubChem CID
- 313882
- DTXSID
DTXSID20310653- Nikkaji
- J155.357G
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
LipidsLipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl phenols and derivatives [PK1501]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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