Cas no 80489-91-4 (2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-pentyl-benzoic acid)
80489-91-4 structure
Product Name:2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-pentyl-benzoic acid
CAS No:80489-91-4
MF:C18H26O4
MW:306.396646022797
CID:2052505
PubChem ID:23874497
Update Time:2025-04-21
2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-pentyl-benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-pentyl-benzoic acid
- 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(1-pentyl) benzoic acid
- 2-Hydroxy-4-methoxy-6-pentyl-3-prenylbenzoic acid
- BDBM50428827
- 80489-91-4
- Amorfrutin 2
- ACon1_001887
- NCGC00180037-01
- 4a4v
- BRD-K48872175-001-01-8
- AKOS040734327
- CHEMBL2337126
- Q27467731
- 2-HYDROXY-4-METHOXY-3-(3-METHYLBUT-2-EN-1-YL)-6-PENTYLBENZOIC ACID
- 2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-pentylbenzoic acid
- 2-hydroxy-4-methoxy-3-prenyl-6-(1-pentyl) benzoic acid
- NCGC00180037-02!2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid
- Benzoic acid, 2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-6-pentyl-
- SCHEMBL2109843
- 2,4-Dihydroxy-6-pentyl-3-prenylbenzoic acid
- DTXSID901166040
-
- Inchi： 1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)
- InChI Key： UJSSSFNGQWZNEN-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=C(C(=O)O)C(=C1C/C=C(\C)/C)O)CCCCC
Computed Properties
- Exact Mass: 306.18310931g/mol
- Monoisotopic Mass: 306.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 373
- 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
- Topological Polar Surface Area: 66.8?2
2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-pentyl-benzoic acid Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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