Cas no 210918-38-0 ((2-Methyl-1-benzofuran-5-yl)methanol)
210918-38-0 structure
Product Name:(2-Methyl-1-benzofuran-5-yl)methanol
CAS No:210918-38-0
MF:C10H10O2
MW:162.185203075409
CID:911085
PubChem ID:45122666
Update Time:2024-02-29
(2-Methyl-1-benzofuran-5-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- 5-Benzofuranmethanol, 2-methyl-
- (2-methyl-1-benzofuran-5-yl)methanol
- 5-benzo[b]furanmethanol,2-methyl-
- (2-Methyl-1-benzofuran-5-yl)methanol
-
- Inchi： 1S/C10H10O2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,11H,6H2,1H3
- InChI Key： FXPMHIDZJOYHHL-UHFFFAOYSA-N
- SMILES： O1C(C)=CC2C=C(CO)C=CC1=2
Computed Properties
- Exact Mass: 162.068079557g/mol
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- Topological Polar Surface Area: 33.4
- XLogP3: 1.8
(2-Methyl-1-benzofuran-5-yl)methanol Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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