Cas no 25801-53-0 (Phenol, 3-methoxy-2-(3-methyl-2-butenyl)-)
25801-53-0 structure
Product Name:Phenol, 3-methoxy-2-(3-methyl-2-butenyl)-
CAS No:25801-53-0
MF:C12H16O2
MW:192.254243850708
CID:1424166
PubChem ID:11805561
Update Time:2025-04-20
Phenol, 3-methoxy-2-(3-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-methoxy-2-(3-methyl-2-butenyl)-
- 3-methoxy-2-(3-methylbut-2-enyl)phenol
- DTXSID60473094
- 3-METHOXY-2-(3-METHYLBUT-2-EN-1-YL)PHENOL
- SCHEMBL8702045
- 25801-53-0
-
- Inchi： 1S/C12H16O2/c1-9(2)7-8-10-11(13)5-4-6-12(10)14-3/h4-7,13H,8H2,1-3H3
- InChI Key： SOFMGTNYXJLNON-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=C(C=1C/C=C(\C)/C)O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 3.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 3-methoxy-2-(3-methyl-2-butenyl)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
25801-53-0 (Phenol, 3-methoxy-2-(3-methyl-2-butenyl)-) Related Products
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