Cas no 919995-26-9 (1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl-)
![1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/920000/919995-26-9x500.png)
919995-26-9 structure
Product Name:1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl-
CAS No:919995-26-9
MF:C15H22O4
MW:266.332785129547
CID:760289
PubChem ID:16101161
Update Time:2025-04-19
1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl-
- 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methylbutan-1-one
- DTXSID30582809
- 919995-26-9
- 1-[3-(3-hydroxypropyloxy)-4-methoxy-phenyl]-3-methyl-butan-1-one
- SCHEMBL2439225
- UYBBUXYXCOBZSA-UHFFFAOYSA-N
-
- Inchi： 1S/C15H22O4/c1-11(2)9-13(17)12-5-6-14(18-3)15(10-12)19-8-4-7-16/h5-6,10-11,16H,4,7-9H2,1-3H3
- InChI Key： UYBBUXYXCOBZSA-UHFFFAOYSA-N
- SMILES： O(CCCO)C1=C(C=CC(=C1)C(CC(C)C)=O)OC
Computed Properties
- Exact Mass: 266.15180918g/mol
- Monoisotopic Mass: 266.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 265
- 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: 2.5
- Topological Polar Surface Area: 55.8?2
1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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
919995-26-9 (1-Butanone, 1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-3-methyl-) Related Products
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