Cas no 163565-66-0 (1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-)
163565-66-0 structure
Product Name:1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
CAS No:163565-66-0
MF:C32H32O7
MW:528.592289924622
CID:207083
Update Time:2024-03-01
1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
- 1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-,(?à)-
- Cinnabarone
- 1-Propanone, 3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-
- 3-[2-Hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)-1-propanone
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- Inchi: 1S/C32H32O7/c1-38-26-14-7-22(30(36)18-26)8-15-27(20-3-10-24(33)11-4-20)28-17-23(31(37)19-32(28)39-2)9-16-29(35)21-5-12-25(34)13-6-21/h3-7,10-14,17-19,27,33-34,36-37H,8-9,15-16H2,1-2H3
- InChI Key: HZJPAKJGVGOXRN-UHFFFAOYSA-N
- SMILES: C(C1=CC=C(O)C=C1)(=O)CCC1=CC(C(C2=CC=C(O)C=C2)CCC2=CC=C(OC)C=C2O)=C(OC)C=C1O
Computed Properties
- Exact Mass: 528.21486
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 39
- XLogP3: 2.861
Experimental Properties
- Density: 1.277±0.06 g/cm3(Predicted)
- Boiling Point: 784.9±60.0 °C(Predicted)
- PSA: 116.45
- pka: 8.08±0.15(Predicted)
1-Propanone,3-[2-hydroxy-5-[3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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