3,4-Dihydro-2-phenyl-2H-1-benzopyran-3,4-diol
PubChem CID: 5318979
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| Compound Synonyms | flavan-3,4-diol, 3,4-Flavandiol, 3,4-Dihydro-2-phenyl-2H-1-benzopyran-3,4-diol, UNII-EH726HE44D, EH726HE44D, 5023-02-9, 2H-1-Benzopyran-3,4-diol, 3,4-dihydro-2-phenyl-, SCHEMBL170331, DTXSID00964537, Q56439127 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-3,4-dihydro-2H-chromene-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XIMADJWJJOMVID-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.733 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.389 |
| Compound Name | 3,4-Dihydro-2-phenyl-2H-1-benzopyran-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.859332133333333 |
| Inchi | InChI=1S/C15H14O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,13-17H |
| Smiles | C1=CC=C(C=C1)C2C(C(C3=CC=CC=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gouania Leptostachya (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Govania Leptostachya (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Phryma Leptostachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all