Basic information
- CAS
94134-86-8- Standard SMILES
CCCCc1ccc(C)c(O)c1- InChIKey
CUYLNCWYFSSEQG-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 5-Butyl-o-cresol
- IUPAC
- 5-butyl-2-methylphenol
- English name
- 5-butyl-o-cresol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24414
Names & synonyms
5-Butyl-o-cresol5-butyl-2-methylphenol94134-86-8NSC-309967EINECS 302-856-3NSC309967Phenol,5-butyl-2-methyl-Phenol, 5-butyl-2-methyl-S477T6X6YASCHEMBL1004694SCHEMBL9782927DTXSID10240733
Show more names
CUYLNCWYFSSEQG-UHFFFAOYSA-NNSC 309967DS-012231NS00040130
Database identifiers
- CAS
94134-86-8- PubChem CID
- 100504
- DTXSID
DTXSID10240733- UNII
- S477T6X6YA
- EC Number
- 302-856-3
- Nikkaji
- J368.262E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- FDA UNII
- 477 T6X6YA · S477T6X6YA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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