(3S)-3-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-6-ol
PubChem CID: 5318266
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FLRPAVYKQSVYEK-LBPRGKRZSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.547 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.432 |
| Compound Name | (3S)-3-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9820845428571428 |
| Inchi | InChI=1S/C17H18O4/c1-20-17-9-16-13(8-15(17)19)7-12(10-21-16)6-11-2-4-14(18)5-3-11/h2-5,8-9,12,18-19H,6-7,10H2,1H3/t12-/m0/s1 |
| Smiles | COC1=C(C=C2C[C@@H](COC2=C1)CC3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients