Cas no 104249-95-8 (1-(3-butoxy-4-methoxyphenyl)ethanone)
104249-95-8 structure
Product Name:1-(3-butoxy-4-methoxyphenyl)ethanone
CAS No:104249-95-8
MF:C13H18O3
MW:222.280224323273
CID:1141964
PubChem ID:21189688
Update Time:2025-04-20
1-(3-butoxy-4-methoxyphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-butoxy-4-methoxyphenyl)ethanone
- 104249-95-8
- 3'-n-Butoxy-4'-methoxyacetophenone
- DTXSID70611248
- 1-(3-Butoxy-4-methoxyphenyl)ethan-1-one
- SCHEMBL6588516
-
- MDL： MFCD18426769
- Inchi： 1S/C13H18O3/c1-4-5-8-16-13-9-11(10(2)14)6-7-12(13)15-3/h6-7,9H,4-5,8H2,1-3H3
- InChI Key： VWNHESFEFMDDOY-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(C)=O)C=CC=1OC)CCCC
Computed Properties
- Exact Mass: 222.125594432g/mol
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 215
- 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: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 3.07670
1-(3-butoxy-4-methoxyphenyl)ethanone Related Literature
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
104249-95-8 (1-(3-butoxy-4-methoxyphenyl)ethanone) Related Products
- 5736-89-0(1-(4-Butoxyphenyl)ethanone)
- 1137-71-9(1-(3,4-diethoxyphenyl)ethan-1-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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