Desoxyanisoin
PubChem CID: 67120
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| Compound Synonyms | Desoxyanisoin, 120-44-5, 1,2-Bis(4-methoxyphenyl)ethanone, Deoxyanisoin, Ethanone, 1,2-bis(4-methoxyphenyl)-, 4,4'-Dimethoxydeoxybenzoin, Deoxy-p-anisoin, Deoxy-4-anisoin, T89TFW8HSV, 1,2-bis(4-methoxyphenyl)ethan-1-one, NSC-8793, EINECS 204-396-8, MFCD00008406, NSC-26660, 1,2-Di-p-anisylethanone, 4-Methoxybenzyl 4-methoxyphenyl ketone, AI3-25259, DTXSID6074469, 1,2-Bis(p-methoxyphenyl)ethanone, Acetophenone, 4'-methoxy-2-(p-methoxyphenyl)-, NSC 8793, NSC 26660, p-Methoxybenzyl p-methoxyphenyl ketone, 4-Methoxybenzyl 4'-methoxyphenyl ketone, 4'-Methoxy-2-(p-methoxyphenyl)acetophenone, deoxyanisoine, NSC8793, Desoxyanisoin, 98%, UNII-T89TFW8HSV, Oprea1_141732, CHEMBL13385, SCHEMBL457954, DTXCID6033536, NSC26660, BBL010755, STK572787, Ethanone,1,2-bis(4-methoxyphenyl)-, 1,2 bis-(4-methoxy-phenyl)-ethanone, AKOS000120573, 4-Methoxybenzyl-4-methoxyphenyl ketone, FM70705, AS-30120, SY060875, 2-(4-methoxyphenyl)-4'-methoxyacetophenone, DB-041556, 4'-Methoxy-2-(4-methoxyphenyl)acetophenone, CS-0150396, NS00023918, EN300-21052, 1-(4-methoxyphenyl)-2-(4-methoxyphenyl)ethanone, SR-01000388834, SR-01000388834-1 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-bis(4-methoxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SICBLYCPRWNHHP-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.55 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.14 |
| Compound Name | Desoxyanisoin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.532034621052631 |
| Inchi | InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3 |
| Smiles | COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all