Basic information
- CAS
12001-44-4- Standard SMILES
Cc1cc(O)c(C(C)C)c(Cl)c1- InChIKey
RPTBHWFXUBPYRT-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.0654927
Names & identifiers
- Preferred name
- Phenol, chloro-5-methyl-2-(1-methylethyl)-
- IUPAC
- 3-chloro-5-methyl-2-propan-2-ylphenol
Names & synonyms
12001-44-43-ChlorothymolPhenol, chloro-5-methyl-2-(1-methylethyl)-SCHEMBL7033501DTXSID203324713-chloro-2-isopropyl-5-methyl-phenol3-Chloro-5-methyl-2-(propan-2-yl)phenol
Database identifiers
- CAS
12001-44-4- PubChem CID
- 458137
- DTXSID
DTXSID20332471
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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