Basic information
- CAS
53346-75-1- Standard SMILES
CCc1cc(Cl)cc(C)c1O- InChIKey
UAZSNTRHVDOYOW-UHFFFAOYSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.0498427
Names & identifiers
- Preferred name
- o-Cresol, 4-chloro-6-ethyl-
- IUPAC
- 4-chloro-2-ethyl-6-methylphenol
Names & synonyms
53346-75-1o-CRESOL, 4-CHLORO-6-ETHYL-4-Chloro-6-ethyl-o-cresolBRN 18648224-Chlor-2-methyl-6-aethylphenol [German]4-Chlor-2-methyl-6-aethylphenolDTXSID20201496RefChem:366403DTXCID201239874-chloro-2-ethyl-6-methylphenolSCHEMBL13888157MFCD01731709
Show more names
H80166
Database identifiers
- CAS
53346-75-1- PubChem CID
- 40738
- DTXSID
DTXSID20201496- Nikkaji
- J67.704C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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