Bis-(4-hydroxybenzyl)ether
PubChem CID: 5315477
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| Compound Synonyms | 76890-93-2, bis-(4-hydroxybenzyl)ether, Bis(4-hydroxybenzyl) ether, Phenol, 4,4'-[oxybis(methylene)]bis-, 4,4-oxy-bis(methylene)diphenol, 4,4'-(oxydimethanediyl)diphenol, 4-[(4-hydroxyphenyl)methoxymethyl]phenol, p-hydroxybenzyl ether, bis(4-hydroxybenzyl)ether, SCHEMBL62482, CHEBI:65501, DTXSID90415689, 4,4'-(Oxybis(methylene))diphenol, 4-{[(4-HYDROXYPHENYL)METHOXY]METHYL}PHENOL, Q27133942 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(4-hydroxyphenyl)methoxymethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCOMKVVSXFCESC-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.642 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.572 |
| Compound Name | Bis-(4-hydroxybenzyl)ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0127835411764705 |
| Inchi | InChI=1S/C14H14O3/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2 |
| Smiles | C1=CC(=CC=C1COCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients