2-methoxy-4-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]phenol
PubChem CID: 11624675
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| Compound Synonyms | CHEMBL464304 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]phenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C20H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHWQODMTPANPLY-AATRIKPKSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 2-methoxy-4-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.157 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 360.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.863255661538462 |
| Inchi | InChI=1S/C20H24O6/c1-22-17-12-15(7-8-16(17)21)13-26-9-5-6-14-10-18(23-2)20(25-4)19(11-14)24-3/h5-8,10-12,21H,9,13H2,1-4H3/b6-5+ |
| Smiles | COC1=CC(=CC(=C1OC)OC)/C=C/COCC2=CC(=C(C=C2)O)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients