Cas no 61542-99-2 (1-Propanone, 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenyl-)
61542-99-2 structure
Product Name:1-Propanone, 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenyl-
CAS No:61542-99-2
MF:C17H18O3
MW:270.323025226593
CID:475605
PubChem ID:71394792
Update Time:2025-04-19
1-Propanone, 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenyl-
- 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenylpropan-1-one
- DTXSID60816462
- 61542-99-2
-
- Inchi： 1S/C17H18O3/c1-12-15(18)11-9-14(17(12)20-2)16(19)10-8-13-6-4-3-5-7-13/h3-7,9,11,18H,8,10H2,1-2H3
- InChI Key： NDCYWYVDFODIGB-UHFFFAOYSA-N
- SMILES： O(C)C1C(C)=C(C=CC=1C(CCC1C=CC=CC=1)=O)O
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 309
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
1-Propanone, 1-(4-hydroxy-2-methoxy-3-methylphenyl)-3-phenyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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