Basic information
- CAS
39236-85-6- Standard SMILES
CCCCCCc1ccc(C)cc1O- InChIKey
DYXAQDSLRRVGHL-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 6-Hexyl-m-cresol
- IUPAC
- 2-hexyl-5-methylphenol
- English name
- 2-Hexyl-5-methylphenol
- Molecular weight
- 0
Names & synonyms
6-Hexyl-m-cresol2-hexyl-5-methylphenol39236-85-66-n-Hexyl-m-cresolm-Cresol, 6-hexyl-BRN 2089379UNII-5N2U2039CE5N2U2039CEDTXSID601924953-06-00-02034 (Beilstein Handbook Reference)RefChem:104684DTXCID70114986
Show more names
orb1986686SCHEMBL3358965AKOS040749991T29472Q27262587
Database identifiers
- CAS
39236-85-6- PubChem CID
- 38259
- DTXSID
DTXSID60192495- UNII
- 5N2U2039CE
- Nikkaji
- J48.510A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- LogP
- 4.997 · 4.997 (est)
- FDA UNII
- 5 N2U2039CE · 5N2U2039CE
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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