Cotoin
PubChem CID: 10175
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| Compound Synonyms | Cotoin, 479-21-0, (2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone, (2,6-Dihydroxy-4-methoxyphenyl)phenylmethanone, 2,6-Dihydroxy-4-methoxybenzophenone, UNII-Z8618Z93DA, BRN 1981817, (2,6-dihydroxy-4-methoxyphenyl)(phenyl)methanone, Z8618Z93DA, COTOIN [MI], Monomethyl ether of 2,4,6-trihydroxybenzophenone, Monomethylaether der 2,4,6-trioxybenzophenon [German], Monomethylaether der 2,4,6-trioxybenzophenon, DTXSID20197320, BENZOPHENONE, 2,6-DIHYDROXY-4-METHOXY-, 4-08-00-03163 (Beilstein Handbook Reference), Methanone, (2,6-dihydroxy-4-methoxyphenyl)phenyl-, 2,6-Dihydroxy-4-methoxy-benzophenon, MFCD01662314, SCHEMBL1456378, DTXCID30119811, EX-A4563, HY-N3637, AKOS022662284, FS-9915, DA-62472, CS-0023980, Q27295128, Methanone, (2,6-dihydroxy-4-methoxyphenyl)phenyl-(9CI) |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HNJZOHHIXSIJFG-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -2.855 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.151 |
| Compound Name | Cotoin |
| 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 | -3.5900585333333335 |
| Inchi | InChI=1S/C14H12O4/c1-18-10-7-11(15)13(12(16)8-10)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3 |
| Smiles | COC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Virgata (Plant) Rel Props:Source_db:cmaup_ingredients