4'-O-Methylnyasol
PubChem CID: 23626544
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| Compound Synonyms | 4'-O-methylnyasol, 79004-25-4, 4-[(1Z,3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol, 4-(1-ethenyl-3-(4-methoxyphenyl)prop-2-en-1-yl)phenol, 4-((1Z,3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl)phenol, SCHEMBL805124, CHEMBL1078282, HY-N8426, AKOS040761153, FS-6875, DA-49752, CS-0144142 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| 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 | 1.0 |
| Iupac Name | 4-[(1Z,3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MTYGOTBQCBXZQD-IJVDHGTGSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.734 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.676 |
| Compound Name | 4'-O-Methylnyasol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.572608 |
| Inchi | InChI=1S/C18H18O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3-13,15,19H,1H2,2H3/b7-4-/t15-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)/C=C\[C@@H](C=C)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all