Cas no 89389-66-2 (2-Propanol, 1-(octyloxy)-3-phenoxy-)
89389-66-2 structure
Product Name:2-Propanol, 1-(octyloxy)-3-phenoxy-
CAS No:89389-66-2
MF:C17H28O3
MW:280.402425765991
CID:602482
PubChem ID:20454562
Update Time:2025-04-19
2-Propanol, 1-(octyloxy)-3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-(octyloxy)-3-phenoxy-
- 1-octoxy-3-phenoxypropan-2-ol
- SCHEMBL10913935
- 1-(OCTYLOXY)-3-PHENOXYPROPAN-2-OL
- DTXSID80607379
- 89389-66-2
-
- Inchi： 1S/C17H28O3/c1-2-3-4-5-6-10-13-19-14-16(18)15-20-17-11-8-7-9-12-17/h7-9,11-12,16,18H,2-6,10,13-15H2,1H3
- InChI Key： SOPJEQBFONRWOV-UHFFFAOYSA-N
- SMILES： O(CC(COC1C=CC=CC=1)O)CCCCCCCC
Computed Properties
- Exact Mass: 280.20384475g/mol
- Monoisotopic Mass: 280.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 38.7?2
2-Propanol, 1-(octyloxy)-3-phenoxy- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
89389-66-2 (2-Propanol, 1-(octyloxy)-3-phenoxy-) Related Products
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