3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol
PubChem CID: 623001
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| Compound Synonyms | 3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol, 55670-26-3, PZRKAAPKQGONFG-UHFFFAOYSA-N, 2H-1-Benzopyran-7-ol, 3,4-dihydro-5-methoxy-6-methyl-2-phenyl-, 5-Methoxy-6-methyl-2-phenyl-7-chromanol # |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Is Pains | False |
| Molecular Formula | C17H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PZRKAAPKQGONFG-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 270.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 270.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2157336 |
| Inchi | InChI=1S/C17H18O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-7,10,15,18H,8-9H2,1-2H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC(CC2)C3=CC=CC=C3)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients