4-[[Hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol
PubChem CID: 5317532
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL10979593 |
|---|---|
| Topological Polar Surface Area | 63.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C14H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMNGEGPLZYRNAA-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.532 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.649 |
| Compound Name | 4-[[Hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 245.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 245.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.881556933333333 |
| Inchi | InChI=1S/C14H15NO3/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,16-18H,9-10H2 |
| Smiles | C1=CC(=CC=C1CN(CC2=CC=C(C=C2)O)O)O |
| Nring | 11.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients