2,5,2'-Trihydroxy-4-methoxybenzophenone
PubChem CID: 10635054
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| Compound Synonyms | 202463-52-3, 2,5,2'-Trihydroxy-4-methoxybenzophenone, (2,5-Dihydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone, starbld0032207, CIA46352, AKOS040762883 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,5-dihydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHNFQUHVRWGKJG-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.4 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.697 |
| Compound Name | 2,5,2'-Trihydroxy-4-methoxybenzophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 260.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.436487421052632 |
| Inchi | InChI=1S/C14H12O5/c1-19-13-7-11(16)9(6-12(13)17)14(18)8-4-2-3-5-10(8)15/h2-7,15-17H,1H3 |
| Smiles | COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2O)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