Hexanophenone
PubChem CID: 70337
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| Compound Synonyms | Hexanophenone, 942-92-7, Caprophenone, 1-phenylhexan-1-one, 1-Phenyl-1-hexanone, n-Hexanophenone, 1-Hexanone, 1-phenyl-, Amyl phenyl ketone, Pentyl phenyl ketone, Hexaphenone, MFCD00009512, n-Amylphenyl ketone, 1-phenyl-hexan-1-one, NSC 8480, EINECS 213-394-6, AI3-01378, DTXSID4061335, 1-Benzoylpentane, NSC8480, Hexanophenone, 99%, n-Pentyl phenyl ketone, Hexanophenone, >=99%, SCHEMBL50000, DTXCID0048925, NSC-8480, AKOS000121447, AS-56450, SY048592, DB-057484, CS-0152336, H0116, NS00040378, EN300-21120, F21443, Q63409590, 213-394-6 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylhexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C12H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.722 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.614 |
| Compound Name | Hexanophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 176.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3698442615384616 |
| Inchi | InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 |
| Smiles | CCCCCC(=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients