2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol
PubChem CID: 10612229
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHHDYYWXCOHKMQ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.77436 |
| Inchi | InChI=1S/C16H16O4/c1-19-16-9-15-11(8-13(16)18)4-7-14(20-15)10-2-5-12(17)6-3-10/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3 |
| Smiles | COC1=C(C=C2CCC(OC2=C1)C3=CC=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients