7,3',4'-Trihydroxy-3-benzyl-2H-chromene
PubChem CID: 71307370
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| Compound Synonyms | 7,3',4'-Trihydroxy-3-benzyl-2H-chromene, 1111897-60-9, 4-[(7-HYDROXY-2H-CHROMEN-3-YL)METHYL]BENZENE-1,2-DIOL, 4-[(7-Hydroxy-2H-1-benzopyran-3-yl)methyl]-1,2-benzenediol, DTXSID80745402, HY-N2735, LUB89760, AKOS015999036, DA-49956, FS-10140, CS-0023235, 4-[(7-Hydroxy-2H-1-benzopyran-3-yl)methyl]benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(7-hydroxy-2H-chromen-3-yl)methyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPLBTDJMPUFEPF-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.71 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.547 |
| Compound Name | 7,3',4'-Trihydroxy-3-benzyl-2H-chromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5035608000000003 |
| Inchi | InChI=1S/C16H14O4/c17-13-3-2-12-6-11(9-20-16(12)8-13)5-10-1-4-14(18)15(19)7-10/h1-4,6-8,17-19H,5,9H2 |
| Smiles | C1C(=CC2=C(O1)C=C(C=C2)O)CC3=CC(=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients