5-Methyl-3-n-pentadecylcatechol
Basic information
- CAS
16273-08-8- Standard SMILES
CCCCCCCCCCCCCCCc1cc(C)cc(O)c1O- InChIKey
IFMPSDKTPLEMGX-UHFFFAOYSA-N- Molecular formula
- C22H38O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.28718045
Names & identifiers
- Preferred name
- 5-Methyl-3-n-pentadecylcatechol
- IUPAC
- 5-methyl-3-pentadecylbenzene-1,2-diol
- English name
- 5-methyl-3-n-pentadecylcatechol
- Molecular formula
- C22H38O2
- Molecular weight
- 334.54
Names & synonyms
5-Methyl-3-n-pentadecylcatechol16273-08-8DTXSID00167445RefChem:103144DTXCID50899365-methyl-3-pentadecylbenzene-1,2-diolSCHEMBL27728949Pyrocatechol, 5-methyl-3-pentadecyl-1,2-Benzenediol, 5-methyl-3-pentadecyl-
Database identifiers
- CAS
16273-08-8- PubChem CID
- 152135
- DTXSID
DTXSID00167445
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Comptox DTXSID
- 167445 · DTXSID00167445
- HS Code
- 2907299090 · 2907299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2907299090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…