4-Tert-Butyl-2-Methylphenol
PubChem CID: 7379
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| Compound Synonyms | 4-tert-Butyl-2-methylphenol, 98-27-1, 4-(tert-Butyl)-2-methylphenol, 4-tert-Butyl-o-cresol, 2-Methyl-4-tert-butylphenol, p-tert-Butyl-o-cresol, Phenol, 4-(1,1-dimethylethyl)-2-methyl-, o-Cresol, 4-tert-butyl-, Phenol, 4-tert-butyl-2-methyl-, NSC 8477, EINECS 202-651-8, 4-tert-Butyl-2-methyl-phenol, BRN 1817502, MFCD00020047, DTXSID5059163, 4-06-00-03398 (Beilstein Handbook Reference), NSC-8477, NSC-98355, Phenol,1-dimethylethyl)-2-methyl-, 4-?(tert-?Butyl)?-?2-?methylphenol, 4-(T-BUTYL)-2-CRESOL, NSC8477, 2-methyl-4-t-butylphenol, NCIOpen2_001766, SCHEMBL171132, CHEMBL442536, X43H4E9XT2, DTXCID8049046, NSC98355, AKOS000120802, CS-W022029, AS-10366, SY113193, NS00040528, EN300-20901, O11102, 4-tert-Butyl-2-methylphenol, >=97.0% (GC) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-tert-butyl-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C11H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SNKLPZOJLXDZCW-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.247 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.504 |
| Compound Name | 4-Tert-Butyl-2-Methylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4366376 |
| Inchi | InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3 |
| Smiles | CC1=C(C=CC(=C1)C(C)(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all