(2,4-Dihydroxy-5-methoxyphenyl)phenylmethanone
PubChem CID: 85777815
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| Compound Synonyms | (2,4-dihydroxy-5-methoxyphenyl)phenylmethanone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,4-dihydroxy-5-methoxyphenyl)-phenylmethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFTQNXHKVZBJIU-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.205 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.653 |
| Compound Name | (2,4-Dihydroxy-5-methoxyphenyl)phenylmethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8105585333333334 |
| Inchi | InChI=1S/C14H12O4/c1-18-13-7-10(11(15)8-12(13)16)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3 |
| Smiles | COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients