Cas no 62423-16-9 (Isobenzofuran, 1-phenyl-3-(2,4,6-trimethylphenyl)-)
62423-16-9 structure
Product Name:Isobenzofuran, 1-phenyl-3-(2,4,6-trimethylphenyl)-
CAS No:62423-16-9
MF:C23H20O
MW:312.404306411743
CID:445315
PubChem ID:12325758
Update Time:2025-04-19
Isobenzofuran, 1-phenyl-3-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran, 1-phenyl-3-(2,4,6-trimethylphenyl)-
- 1-phenyl-3-(2,4,6-trimethylphenyl)-2-benzofuran
- 62423-16-9
- 1-Mesityl-3-phenylisobenzofuran
- DTXSID70489520
-
- Inchi： 1S/C23H20O/c1-15-13-16(2)21(17(3)14-15)23-20-12-8-7-11-19(20)22(24-23)18-9-5-4-6-10-18/h4-14H,1-3H3
- InChI Key： RFTDERJULUJDQG-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C2C=CC=CC2=C1C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 312.1515
- Monoisotopic Mass: 312.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 400
- 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: 6.7
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- PSA: 13.14
Isobenzofuran, 1-phenyl-3-(2,4,6-trimethylphenyl)- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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