Oxyphyllacinol
PubChem CID: 5320349
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| Compound Synonyms | Oxyphyllacinol, 87657-77-0, 4-(3-hydroxy-7-phenylheptyl)-2-methoxyphenol, Benzenepentanol?, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol, HY-N9633, AKOS040768046, DA-66422, MS-24621, CS-0202400, F82995, 4-(3-hydroxy-7-phenyl-heptyl)-2-methoxy-phenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3-hydroxy-7-phenylheptyl)-2-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHUCMVAZNHOIPY-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.556 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.714 |
| Compound Name | Oxyphyllacinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 314.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.359821956521738 |
| Inchi | InChI=1S/C20H26O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,18,21-22H,5-6,9-11,13H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)CCC(CCCCC2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients