Cas no 111787-92-9 (3-Furanmethanol, 5-(4-methoxyphenyl)-2-methyl-)
111787-92-9 structure
Product Name:3-Furanmethanol, 5-(4-methoxyphenyl)-2-methyl-
CAS No:111787-92-9
MF:C13H14O3
MW:218.248464107513
CID:1199269
PubChem ID:23074277
Update Time:2025-04-20
3-Furanmethanol, 5-(4-methoxyphenyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Furanmethanol, 5-(4-methoxyphenyl)-2-methyl-
- DTXSID301259425
- 5-(4-Methoxyphenyl)-2-methyl-3-furanmethanol
- SCHEMBL3112745
- 111787-92-9
-
- Inchi： 1S/C13H14O3/c1-9-11(8-14)7-13(16-9)10-3-5-12(15-2)6-4-10/h3-7,14H,8H2,1-2H3
- InChI Key： URUSYZYBXAGIFO-UHFFFAOYSA-N
- SMILES： O1C(C)=C(CO)C=C1C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 218.09432
- Monoisotopic Mass: 218.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 2.1
- Topological Polar Surface Area: 42.6?2
Experimental Properties
- PSA: 42.6
3-Furanmethanol, 5-(4-methoxyphenyl)-2-methyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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