2-[(4-Hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
PubChem CID: 11428499
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C23H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEHPFSANMZYPCC-UHFFFAOYSA-N |
| Fcsp3 | 0.217391304347826 |
| Logs | -4.704 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.973 |
| Compound Name | 2-[(4-Hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.463567533333333 |
| Inchi | InChI=1S/C23H24O4/c1-26-20-5-3-4-16(12-20)6-9-18-14-21(27-2)15-23(25)22(18)13-17-7-10-19(24)11-8-17/h3-5,7-8,10-12,14-15,24-25H,6,9,13H2,1-2H3 |
| Smiles | COC1=CC=CC(=C1)CCC2=C(C(=CC(=C2)OC)O)CC3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients