4-Pentadecylbenzene-1,2-diol
Basic information
- CAS
5394-77-4- Standard SMILES
CCCCCCCCCCCCCCCc1ccc(O)c(O)c1- InChIKey
LAMCNRYCAMXXHH-UHFFFAOYSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Overview
4-pentadecylbenzene-1,2-diol has been reported in Gluta usitata with data available.
Names & identifiers
- Preferred name
- 4-Pentadecylbenzene-1,2-diol
- IUPAC
- 4-pentadecylbenzene-1,2-diol
Names & synonyms
4-pentadecylbenzene-1,2-diol5394-77-4DTXSID90277082RefChem:100291DTXCID40228241isourushiolNSC774isourushiol C15:04-PENTADECYLPYROCATECHOLCHEMBL156059SCHEMBL2681950NSC-774
Database identifiers
- CAS
5394-77-4- PubChem CID
- 219441
- DTXSID
DTXSID90277082- ChEMBL
CHEMBL156059- Nikkaji
- J2.446.315J
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
LogP9.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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