4-(7,7-Dimethylfuro[3,2-g]chromen-2-yl)phenol
PubChem CID: 71579377
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| Compound Synonyms | Gramniphenol F, CHEMBL2333780, 4-(7,7-dimethylfuro[3,2-g]chromen-2-yl)phenol |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(7,7-dimethylfuro[3,2-g]chromen-2-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GQRJEBZESAXFAK-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.046 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.23 |
| Compound Name | 4-(7,7-Dimethylfuro[3,2-g]chromen-2-yl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.957516254545455 |
| Inchi | InChI=1S/C19H16O3/c1-19(2)8-7-13-9-14-10-16(12-3-5-15(20)6-4-12)21-17(14)11-18(13)22-19/h3-11,20H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC=C(C=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundina Gramnifolia (Plant) Rel Props:Source_db:cmaup_ingredients