Butylated Hydroxytoluene
Representations & DB's id
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| ChEBI: | CHEBI:34247 | |
|---|---|---|
| ChEMBL: | CHEMBL146 | |
| PubChem: | 31404 | |
| IUPAC: | 2,6-ditert-butyl-4-methylphenol | |
| Standard InChI: | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 | |
| Standard InChI Key: | NLZUEZXRPGMBCV-UHFFFAOYSA-N | |
| SMILES: | Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C | |
Molecular propeties
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| AlogP: | 4.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |