2-Tert-butylphenol
PubChem CID: 6923
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| Compound Synonyms | 2-TERT-BUTYLPHENOL, 88-18-6, 2-(tert-butyl)phenol, 2-t-Butylphenol, Phenol, 2-(1,1-dimethylethyl)-, Phenol, o-tert-butyl-, o-t-Butylphenol, o-tert-Butylphenol, TERT-BUTYLPHENOL, 2-(1,1-Dimethylethyl)phenol, 2-tert-Butyl-1-hydroxybenzene, 27178-34-3, Phenol, (1,1-dimethylethyl)-, t-Butylphenol, Phenol, o-(tert-butyl)-, 2-tert-Butyl-phenol, ortho-tert-butylphenol, Phenol, 2-tert-butyl-, MFCD00002223, NL2FPV3N0Z, DTXSID2026525, CHEBI:34305, DTXCID206525, CAS-88-18-6, CCRIS 5825, HSDB 5255, Benzene, 1-tert-butyl-2-hydroxy-, EINECS 201-807-2, UNII-NL2FPV3N0Z, BRN 1907120, AI3-26292, t-butyl phenol, 2-tertbutylphenol, tert-butyl phenol, tert.-butylphenol, tertiarybutylphenol, 2-t-butyl phenol, 2-t-butyl-phenol, 2-tert butylphenol, ortho-t-butylphenol, tertiary butylphenol, EINECS 248-300-2, o-tert-butyl phenol, Ortho-tertbutylphenol, 2-tert-butyl phenol, o-(t-butyl)-phenol, o-tert.-butyl-phenol, 2-tertiary-butylphenol, 2-t-butyl-hydroxybenzene, ortho-tertiary-butyl phenol, EC 201-807-2, 2-tert-Butylphenol, 99%, SCHEMBL51803, 4-06-00-03292 (Beilstein Handbook Reference), MLS001055450, BIDD:ER0653, BUTYLPHENOL, 2-TERT-, CHEMBL108851, 2-(1,1-dimethylethyl)-phenol, HMS3039I16, 2-TERT-BUTYLPHENOL [HSDB], AAA08818, Tox21_202041, Tox21_300011, AKOS000120754, NCGC00090990-01, NCGC00090990-02, NCGC00090990-03, NCGC00090990-04, NCGC00254125-01, NCGC00259590-01, LS-13818, SMR000686063, B0734, NS00010034, EN300-20955, Q27115979, Z104485444, 1-TERT.BUTYL,2-HYDRXY-BENZENE (1-TERT.BUTYL-PHENOL), InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NUW8, P16473, P00352, P83916, Q96RI1, O94782, P05412 |
| Iupac Name | 2-tert-butylphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT50, NPT210, NPT94 |
| Xlogp | 3.3 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 1.0 |
| Inchi Key | WJQOZHYUIDYNHM-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.586 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.294 |
| Compound Name | 2-Tert-butylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.194306563636364 |
| Inchi | InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 |
| Smiles | CC(C)(C)C1=CC=CC=C1O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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