Cas no 159213-12-4 (3-Heptanone,2-methyl-1-phenyl-, (2R)-)
159213-12-4 structure
Product Name:3-Heptanone,2-methyl-1-phenyl-, (2R)-
CAS No:159213-12-4
MF:C14H20O
MW:204.308004379272
CID:109142
PubChem ID:11206505
Update Time:2025-04-18
3-Heptanone,2-methyl-1-phenyl-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone,2-methyl-1-phenyl-, (2R)-
- (R)-2-Methyl-1-phenyl-3-heptanone
- (2R)-2-METHYL-1-PHENYLHEPTAN-3-ONE
- SCHEMBL8728626
- 159213-12-4
-
- Inchi： 1S/C14H20O/c1-3-4-10-14(15)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-/m1/s1
- InChI Key： YPJPZJXXBCPBIV-GFCCVEGCSA-N
- SMILES： O=C(CCCC)[C@H](C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 204.1515
- Monoisotopic Mass: 204.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Heptanone,2-methyl-1-phenyl-, (2R)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
159213-12-4 (3-Heptanone,2-methyl-1-phenyl-, (2R)-) Related Products
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- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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