Cas no 107258-87-7 (Methanone,cyclohexyl(methoxyphenyl)- (9CI))
107258-87-7 structure
Product Name:Methanone,cyclohexyl(methoxyphenyl)- (9CI)
CAS No:107258-87-7
MF:C14H18O2
MW:218.291524410248
CID:187199
PubChem ID:184807
Update Time:2025-04-19
Methanone,cyclohexyl(methoxyphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Methanone,cyclohexyl(methoxyphenyl)- (9CI)
- cyclohexyl-(2-methoxyphenyl)methanone
- AC1L4FLZ
- AC1Q5FOG
- AG-J-53208
- AR-1I3126
- Cyclohexyl(2-methoxyphenyl)methanone
- MolPort-008-548-613
- DTXSID20147981
- AKOS010015724
- CYCLOHEXYL 2-METHOXYPHENYL KETONE
- Cyclohexyl-(2-methoxy-phenyl)-methanone
- MFCD03841339
- CYCLOHEXYL2-METHOXYPHENYLKETONE
- 111504-19-9
- 107258-87-7
-
- Inchi： 1S/C14H18O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
- InChI Key： IOVWHDLNFVGIRP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1OC)C1CCCCC1
Computed Properties
- Exact Mass: 218.131
- Monoisotopic Mass: 218.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
- XLogP3: 3.9
Experimental Properties
- Density: 1.052
- Boiling Point: 330.8°C at 760 mmHg
- Flash Point: 140.6°C
- Refractive Index: 1.529
- PSA: 26.30000
- LogP: 3.45820
Methanone,cyclohexyl(methoxyphenyl)- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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