Basic information
- CAS
63989-86-6- Standard SMILES
CCCCCCCc1ccc(C)cc1O- InChIKey
PFEFNRYFGDCFFT-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- m-Cresol, 6-heptyl-
- IUPAC
- 2-heptyl-5-methylphenol
Names & synonyms
m-Cresol, 6-heptyl-63989-86-66-n-Heptyl-m-cresol6-Heptyl-m-cresolBRN 2095133DTXSID502139263-06-00-02059 (Beilstein Handbook Reference)RefChem:351539DTXCID801364172-heptyl-5-methylphenolstarbld0022959orb1985673
Show more names
AKOS040752960T33235
Database identifiers
- CAS
63989-86-6- PubChem CID
- 46160
- DTXSID
DTXSID50213926- Nikkaji
- J67.714K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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