4-[(Z)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol
PubChem CID: 44450605
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| Compound Synonyms | CHEMBL405861 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNUHGFKQPBUSFI-QBFSEMIESA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.32 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.847 |
| Compound Name | 4-[(Z)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.8464072 |
| Inchi | InChI=1S/C18H20O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-11,14,19-20H,12H2,1-2H3/b13-11- |
| Smiles | CC(CC1=CC=C(C=C1)O)/C(=C\C2=CC=C(C=C2)O)/C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all