3-(4-Hydroxyphenyl)-7-methoxychromen-2-one
PubChem CID: 141484076
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxyphenyl)-7-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYHPJTFMAULRDT-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.772 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.116 |
| Compound Name | 3-(4-Hydroxyphenyl)-7-methoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2295616 |
| Inchi | InChI=1S/C16H12O4/c1-19-13-7-4-11-8-14(16(18)20-15(11)9-13)10-2-5-12(17)6-3-10/h2-9,17H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients