Cas no 61582-77-2 (Benzene, 4-methoxy-1-methyl-2-(2-phenylethyl)-)
61582-77-2 structure
Product Name:Benzene, 4-methoxy-1-methyl-2-(2-phenylethyl)-
CAS No:61582-77-2
MF:C16H18O
MW:226.313524723053
CID:473924
PubChem ID:13300061
Update Time:2025-04-19
Benzene, 4-methoxy-1-methyl-2-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-methoxy-1-methyl-2-(2-phenylethyl)-
- 4-methoxy-1-methyl-2-(2-phenylethyl)benzene
- 61582-77-2
- DTXSID50535650
-
- Inchi： 1S/C16H18O/c1-13-8-11-16(17-2)12-15(13)10-9-14-6-4-3-5-7-14/h3-8,11-12H,9-10H2,1-2H3
- InChI Key： JLZZXMKCSGDOFK-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C)=C(C=1)CCC1C=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: 208
- 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
- XLogP3: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 4-methoxy-1-methyl-2-(2-phenylethyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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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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