Cas no 67683-29-8 (4-(3-Methylbutoxy)phenyl 4-propoxybenzoate)
67683-29-8 structure
Product Name:4-(3-Methylbutoxy)phenyl 4-propoxybenzoate
CAS No:67683-29-8
MF:C21H26O4
MW:342.428746700287
CID:2798225
PubChem ID:71367792
Update Time:2025-04-21
4-(3-Methylbutoxy)phenyl 4-propoxybenzoate Chemical and Physical Properties
Names and Identifiers
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- 4-(3-METHYLBUTOXY)PHENYL 4-PROPOXYBENZOATE
- DTXSID40790897
- 67683-29-8
- 4-(3-Methylbutoxy)phenyl 4-propoxybenzoate
-
- Inchi： 1S/C21H26O4/c1-4-14-23-18-7-5-17(6-8-18)21(22)25-20-11-9-19(10-12-20)24-15-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3
- InChI Key： MMOHTBYSUUCJBM-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC(C1C=CC(=CC=1)OCCC)=O)CCC(C)C
Computed Properties
- Exact Mass: 342.18310931Da
- Monoisotopic Mass: 342.18310931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 10
- Complexity: 366
- 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: 5.9
- Topological Polar Surface Area: 44.8?2
4-(3-Methylbutoxy)phenyl 4-propoxybenzoate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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