2,6-Dimethoxy-4-[2-(4-Methoxyphenyl)Ethyl]Phenol
PubChem CID: 368147
Connections displayed (default: 10).
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| Compound Synonyms | NSC638495, 2,6-dimethoxy-4-[2-(4-methoxyphenyl)ethyl]phenol, CHEMBL1098117, 2,6-Dimethoxy-4-(2-(4-methoxyphenyl)ethyl)phenol, 4-Hydroxy-3,4',5-trimethoxybibenzyl, SCHEMBL16372691, 4-Hydroxy-3,5-trimethoxybibenzyl, BDBM50316632, NSC-638495, NCI60_012880, 2,6-dimethoxy-4-(4-methoxyphenethyl)phenol |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q49PX0 |
| Iupac Name | 2,6-dimethoxy-4-[2-(4-methoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LQUCKZYGJBLADR-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.304 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.393 |
| Compound Name | 2,6-Dimethoxy-4-[2-(4-Methoxyphenyl)Ethyl]Phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.985583742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h6-11,18H,4-5H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Amoenum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Amoenum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Amplum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Aphyllum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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