Tert-Butylhydroquinone
PubChem CID: 16043
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| Compound Synonyms | tert-Butylhydroquinone, 1948-33-0, TBHQ, 2-tert-Butylhydroquinone, 2-tert-butylbenzene-1,4-diol, T-BUTYLHYDROQUINONE, MTBHQ, t-Butyl hydroquinone, 2-t-Butylhydroquinone, Mono-tert-butylhydroquinone, Sustane, 2-tert-Butyl-1,4-benzenediol, Mono-tertiarybutylhydroquinone, tert-Butyl-1,4-benzenediol, Tenox TBHQ, tertiary-Butylhydroquinone, Banox 20BA, Hydroquinone, tert-butyl-, 2-(1,1-Dimethylethyl)-1,4-benzenediol, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 2-tert-Butyl(1,4)hydroquinone, 2-tertiary-butylhydroquinone, Tertiary butylhydroquinone, tert-Butylhydrochinone, t-BHQ, 2-(tert-butyl)benzene-1,4-diol, 2-t-Butyl-1,4-benzenediol, Hydroquinone, t-butyl-, Butylhydroquinone, tert-, NSC 4972, Tenox 20, MFCD00002344, monotertiary butyl hydroquinone, CCRIS 1447, HSDB 838, CHEBI:78886, 1,4-Benzenediol (1,1-dimethylethyl)-, NSC4972, Eastman MTBHQ, NSC-4972, EINECS 217-752-2, BRN 0637923, DTXSID6020220, AI3-61039, tert-butyl-hydroquinone, UNII-C12674942B, 2-(1,1-dimethylethyl)benzene-1,4-diol, DTXCID60220, BUTYLHYDROQUINONE,TERT-, INS NO.319, C12674942B, INS-319, EC 217-752-2, HYDROQUINONE,TERTIARY BUTYL, 2-tert-butyl-1,4-dihydroxybenzene, NCGC00013051-05, E319, E-319, TERT-BUTYLHYDROQUINONE (II), TERT-BUTYLHYDROQUINONE [II], 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid), EYK, TERTIARY BUTYLHYDROQUINONE (MART.), TERTIARY BUTYLHYDROQUINONE [MART.], CAS-1948-33-0, Butylhydroquinone, t-, tert-butyl hydroquinone, 2-(tert-Butyl)-p-hydroquinone, Sustane TBHQ, Tenox TBHO, Tenox TBHQTBHQ, TBHQ (Standard), t-butyl-hydroquinone, tert-Butylhydroquinon, THBQ, 2-t-butyl hydroquinone, tert.-butyl hydroquinone, 2-tert-butyl-hydroquinone, TBHQ [FCC], NCIStruc1_000241, NCIStruc2_000017, SCHEMBL26745, tert-Butylhydroquinone, 97%, MLS002222348, CHEMBL242080, NCI4972, WLN: QR DQ BX1&1&1, KUC109743N, T-BUTYLHYDROQUINONE [HSDB], 1,4-dihydroxy-2-tert-butylbenzene, Tox21_110006, Tox21_110007, Tox21_202309, Tox21_300081, BDBM50065387, CCG-37948, NCGC00013051, s4990, STK372011, AKOS003627061, CS-5774, DB07726, FB40548, HY-100489R, 2-TERT-BUTYL-1,4-HYDROQUINONE, NCGC00013051-01, NCGC00013051-02, NCGC00013051-03, NCGC00013051-04, NCGC00013051-06, NCGC00013051-07, NCGC00013051-08, NCGC00013051-09, NCGC00013051-10, NCGC00090788-01, NCGC00090788-02, NCGC00090788-03, NCGC00090788-04, NCGC00254178-01, NCGC00259858-01, AC-10579, BS-15862, NCI60_004196, SMR001253806, SY001798, 2-(1,1-DIMETHYLETHYL)HYDROQUINONE, HYDROQUINONE,TERTIARY BUTYL [VANDF], KSC-241-078-1, tert-Butylhydroquinone, analytical standard, DB-019879, HY-100489, B0833, NS00010294, 2-(1,1-Dimethylethyl)-1,4-benzenediol, 9CI, D70420, EN300-120878, Q662443, BRD-K36452089-001-01-8, BRD-K36452089-001-02-6, F0001-0696, Z1255402624, Butylhydroquinone, TBHQ, 2-tert-Butylhydroquinone, 2-(1,1-Dimethylethyl)-1,4-benzenediol, 217-752-2 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tert-butylbenzene-1,4-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT152, NPT741, NPT543 |
| Xlogp | 2.8 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | 0.243 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.086 |
| Compound Name | Tert-Butylhydroquinone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9574640000000003 |
| Inchi | InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3 |
| Smiles | CC(C)(C)C1=C(C=CC(=C1)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Physalis Peruviana (Plant) Rel Props:Source_db:cmaup_ingredients