Cas no 56222-45-8 (1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)-)
56222-45-8 structure
Product Name:1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)-
CAS No:56222-45-8
MF:C19H24O5
MW:332.390866279602
CID:349450
PubChem ID:71444789
Update Time:2025-04-19
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)-
- 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)propane-1,3-diol
- DTXSID50853543
- 56222-45-8
-
- Inchi： 1S/C19H24O5/c1-3-4-13-5-8-15(9-6-13)24-18(12-20)19(22)14-7-10-16(21)17(11-14)23-2/h5-11,18-22H,3-4,12H2,1-2H3
- InChI Key： SLIXMPLHHWTMLZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)CCC)C(CO)C(C1C=CC(=C(C=1)OC)O)O
Computed Properties
- Exact Mass: 332.16242
- Monoisotopic Mass: 332.16237386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 79.2?2
Experimental Properties
- PSA: 79.15
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
56222-45-8 (1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-propylphenoxy)-) Related Products
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