Cas no 16960-08-0 (Phenol,4-(1-phenylethyl)-, phosphate (3:1) (9CI))
16960-08-0 structure
Product Name:Phenol,4-(1-phenylethyl)-, phosphate (3:1) (9CI)
CAS No:16960-08-0
MF:C42H39O4P
MW:638.730432748795
CID:183143
PubChem ID:519343
Update Time:2025-04-19
Phenol,4-(1-phenylethyl)-, phosphate (3:1) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-(1-phenylethyl)-, phosphate (3:1) (9CI)
- Tris(4-(1-phenylethyl)phenyl) phosphate
- tris[4-(1-phenylethyl)phenyl] phosphate
- Phosphoric acid tris[4-(1-phenylethyl)phenyl] ester
- SCHEMBL9579213
- 16960-08-0
- EINECS 241-030-6
- DTXSID10937651
- Tris[4-(1-phenylethyl)phenyl]phosphate
- NS00054144
-
- Inchi： 1S/C42H39O4P/c1-31(34-13-7-4-8-14-34)37-19-25-40(26-20-37)44-47(43,45-41-27-21-38(22-28-41)32(2)35-15-9-5-10-16-35)46-42-29-23-39(24-30-42)33(3)36-17-11-6-12-18-36/h4-33H,1-3H3
- InChI Key： LVNYEUXPFPQSNE-UHFFFAOYSA-N
- SMILES： P(=O)(OC1C=CC(=CC=1)C(C)C1C=CC=CC=1)(OC1C=CC(=CC=1)C(C)C1C=CC=CC=1)OC1C=CC(=CC=1)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 638.25877
- Monoisotopic Mass: 638.25859672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 47
- Rotatable Bond Count: 12
- Complexity: 809
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.8
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phenol,4-(1-phenylethyl)-, phosphate (3:1) (9CI) Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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