Cas no 218459-99-5 (Benzene, 1-methoxy-4-[(1R)-1-methyl-2-phenylethyl]-)
218459-99-5 structure
Product Name:Benzene, 1-methoxy-4-[(1R)-1-methyl-2-phenylethyl]-
CAS No:218459-99-5
MF:C16H18O
MW:226.313524723053
CID:1404434
PubChem ID:11075119
Update Time:2025-04-20
Benzene, 1-methoxy-4-[(1R)-1-methyl-2-phenylethyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-methoxy-4-[(1R)-1-methyl-2-phenylethyl]-
- 1-methoxy-4-[(2R)-1-phenylpropan-2-yl]benzene
- CTK0J7096
- DTXSID70454319
- 218459-99-5
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- Inchi: 1S/C16H18O/c1-13(12-14-6-4-3-5-7-14)15-8-10-16(17-2)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
- InChI Key: QAGFBGLJOGYPCG-CYBMUJFWSA-N
- SMILES: O(C)C1C=CC(=CC=1)[C@H](C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 226.13584
- Monoisotopic Mass: 226.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 200
- 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: 4.4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-methoxy-4-[(1R)-1-methyl-2-phenylethyl]- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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