p-tert-Pentylphenol
PubChem CID: 6643
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| Compound Synonyms | 4-tert-Amylphenol, 80-46-6, 4-tert-Pentylphenol, p-tert-Pentylphenol, p-tert-Amylphenol, 4-t-Amylphenol, 4-(2-methylbutan-2-yl)phenol, Pentaphen, 4-(1,1-DIMETHYLPROPYL)PHENOL, Amilfenol, Amilphenol, tert-Amylphenol, Phenol, 4-(1,1-dimethylpropyl)-, Amyl phenol 4T, Ptap, Phenol, p-tert-pentyl-, p-t-Pentylphenol, Ucar amyl phenol 4T, p-(1,1-Dimethylpropyl)phenol, para-tert-Amylphenol, 2-Methyl-2-p-hydroxyphenylbutane, Caswell No. 050, 4-(tert-pentyl)phenol, 4-(1,1-Dimethylpropyl)-1-phenol, 4-t-pentylphenol, Phenol, p-(tert-pentyl)-, 1-Hydroxy-4-(1,1-dimethylpropyl)benzene, MFCD00002369, CCRIS 4693, NSC 403672, HSDB 5236, EINECS 201-280-9, p-(alpha,alpha-Dimethylpropyl)phenol, AMYLPHENOL, P-TERT-, tertiary amyl phenol, EPA Pesticide Chemical Code 064101, BRN 1908224, 6NP9LYK846, DTXSID8021771, AI3-00460, NSC-403672, AMYLPHENOL [MART.], CHEMBL195693, DTXCID001771, CHEBI:35096, NRZWYNLTFLDQQX-UHFFFAOYSA-, P-TERT-PENTYLPHENOL [MI], EC 201-280-9, 4-06-00-03383 (Beilstein Handbook Reference), NCGC00091655-02, p-(.alpha.,.alpha.-Dimethylpropyl)phenol, 4-(1,1-DIMETHYLPROPYL)PHENOL [HSDB], Phenol,1-dimethylpropyl)-, AMYLPHENOL (MART.), WLN: QR D1X1&1&1, p-t-amylphenol, CAS-80-46-6, 4-tert-pentyphenol, para-tertiary-amyl-phenol, UNII-6NP9LYK846, ptertAmylphenol, ptPentylphenol, tertAmylphenol, 4tertAmylphenol, 4tAmylphenol, p-tertamylphenol, 4tertPentylphenol, paratertAmylphenol, p-t-Amyl phenol, Nipacide PTAP, Pentaphen 67, Phenol, ptertpentyl, Para-tertiary amylphenol, 2Methyl2phydroxyphenylbutane, 4-tert-Amylphenol, 99%, p(1,1Dimethylpropyl)phenol, 4(1,1Dimethylpropyl)phenol, SCHEMBL49704, MLS002152935, 4(1,1Dimethylpropyl)1phenol, BIDD:ER0210, Phenol, 4(1,1dimethylpropyl), NSC4965, p(alpha,alphaDimethylpropyl)phenol, p-(1,1-Dimethyl propyl) phenol, 4-(1,1-Dimethyl-propyl)-phenol, HMS3039M10, NSC-4965, Tox21_111159, Tox21_202351, Tox21_300088, 1Hydroxy4(1,1dimethylpropyl)benzene, BDBM50410536, MSK400062, NSC403672, AKOS000119604, Tox21_111159_1, 4-tert-Amylphenol, analytical standard, 4-(1,1-DIMETHYLPROPYL)-PHENOL, USEPA/OPP Pesticide Code: 064101, 1-Hydroxy-4-(2-methyl-2-butyl)benzene, NCGC00091655-01, NCGC00091655-03, NCGC00091655-04, NCGC00091655-05, NCGC00254041-01, NCGC00259900-01, AC-16506, SMR001224530, 1ST400062, DB-000247, MSK400062-1000, A0460, CS-0152629, NS00004107, EN300-20303, 1-HYDROXY-4(2-METHYL-2-BUTYL)BENZENE, E76129, 1ST400062-1000, 4-tert-Amylphenol Solution in Methanol, 1000?g/mL, 4-tert-Amylphenol Solution in Methanol, 1000mug/mL, Q26840951, Z104477686 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15207, O95149, P10828, Q96RI1, P04150, O94782, Q16236, Q13526, P27695, P10275, P04792, P19838, P05412 |
| Iupac Name | 4-(2-methylbutan-2-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C11H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | NRZWYNLTFLDQQX-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.151 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.851 |
| Compound Name | p-tert-Pentylphenol |
| 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 | -3.5218376 |
| Inchi | InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 |
| Smiles | CCC(C)(C)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all