(5S)-7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
PubChem CID: 46213117
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C20H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XXVCRBHITJEJAY-FQEVSTJZSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.208 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.167 |
| Compound Name | (5S)-7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8685227565217386 |
| Inchi | InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3/t20-/m0/s1 |
| Smiles | CO[C@@H](CCC1=CC=C(C=C1)O)CC(=O)CCC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients