1-(4-Cyclohexylphenyl)ethan-1-one
PubChem CID: 87715
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| Compound Synonyms | 18594-05-3, 1-(4-Cyclohexylphenyl)ethanone, 4'-Cyclohexylacetophenone, 1-(4-Cyclohexylphenyl)ethan-1-one, 4-Cyclohexylacetophenone, Ethanone, 1-(4-cyclohexylphenyl)-, MFCD00001453, EINECS 242-432-4, MSDQNIRGPBARGC-UHFFFAOYSA-, C14H18O, DTXSID70171817, 1-(4-cyclohexyl-phenyl)-ethanone, p-cyclohexylacetophenone, 4-cyclohexylace-tophenone, 4'-cyclohexyl actephenone, 4'-cyclohexyl acetophenone, 4'-cyclohexyl-acetophenone, para-cyclohexyl-acetophenone, SCHEMBL967133, p-cyclohexylphenyl methyl ketone, DTXCID6094308, 1-(4-cyclohexylphenyl)-ethanone, 4'-Cyclohexylacetophenone, 99%, 1-(4-Cyclohexylphenyl)ethanone #, ALBB-020867, STR04122, STL138370, AKOS000119331, CCG-301834, FC70867, UPCMLD0ENAT5883753:001, SY049494, DB-028850, NS00026086, EN300-20139, D87930, 4 inverted exclamation mark -Cyclohexylacetophenone, F0001-0670, Z104477036, 242-432-4 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-cyclohexylphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSDQNIRGPBARGC-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.851 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.532 |
| Compound Name | 1-(4-Cyclohexylphenyl)ethan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.790841399999999 |
| Inchi | InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3 |
| Smiles | CC(=O)C1=CC=C(C=C1)C2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients