Cas no 136795-25-0 (2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-)
136795-25-0 structure
Product Name:2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-
CAS No:136795-25-0
MF:C21H28O3
MW:328.445226669312
CID:1242351
PubChem ID:59366738
Update Time:2025-04-20
2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]-
- 1,3-bis(4-propan-2-ylphenoxy)propan-2-ol
- DTXSID60731666
- SCHEMBL5018996
- 1,3-Bis[4-(propan-2-yl)phenoxy]propan-2-ol
- 136795-25-0
-
- Inchi: 1S/C21H28O3/c1-15(2)17-5-9-20(10-6-17)23-13-19(22)14-24-21-11-7-18(8-12-21)16(3)4/h5-12,15-16,19,22H,13-14H2,1-4H3
- InChI Key: VYMACICHPSDGKU-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)C(C)C)CC(COC1C=CC(=CC=1)C(C)C)O
Computed Properties
- Exact Mass: 328.20394
- Monoisotopic Mass: 328.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 294
- 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: 5.2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
2-Propanol, 1,3-bis[4-(1-methylethyl)phenoxy]- Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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