Cas no 111808-94-7 ((5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol)
111808-94-7 structure
Product Name:(5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol
CAS No:111808-94-7
MF:C12H11ClO2
MW:222.667542695999
CID:129414
PubChem ID:7245332
Update Time:2025-04-18
(5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol Chemical and Physical Properties
Names and Identifiers
-
- (5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol
- [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
- 3-Furanmethanol,5-(4-chlorophenyl)-2-methyl-
- 5-(4-chlorophenyl)-3-hydroxymethyl-2-methylfuran
- 111808-94-7
- HMS1659B07
- SCHEMBL2240830
- DTXSID40428466
- GQHKNJRCVPQMQL-UHFFFAOYSA-N
-
- Inchi： 1S/C12H11ClO2/c1-8-10(7-14)6-12(15-8)9-2-4-11(13)5-3-9/h2-6,14H,7H2,1H3
- InChI Key： GQHKNJRCVPQMQL-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CC(CO)=C(C)O1
Computed Properties
- Exact Mass: 222.04483
- Monoisotopic Mass: 222.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 202
- 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: 2.8
- Topological Polar Surface Area: 33.4?2
Experimental Properties
- PSA: 33.37
- LogP: 3.40070
(5-(4-Chlorophenyl)-2-methylfuran-3-yl)methanol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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