Cas no 220352-35-2 (Phenol, tert-Buderivs., phosphates (3:1))
220352-35-2 structure
Product Name:Phenol, tert-Buderivs., phosphates (3:1)
CAS No:220352-35-2
MF:C16H18O4P
MW:305.285485744476
CID:263545
PubChem ID:5489265
Update Time:2025-04-19
Phenol, tert-Buderivs., phosphates (3:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, tert-Buderivs., phosphates (3:1)
- 220352-35-2
- t-Butylphenyl phenyl phosphate
- HSDB 7130
-
- Inchi： 1S/C16H19O4P/c1-16(2,3)14-11-7-8-12-15(14)20-21(17,18)19-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,17,18)/p-1
- InChI Key： OAGSJMRKTNUIFI-UHFFFAOYSA-M
- SMILES： P(=O)([O-])(OC1C=CC=CC=1)OC1C=CC=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 305.09434
- Monoisotopic Mass: 305.09427105g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 363
- 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: 4.2
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.59
- LogP: log Kow = 5.12 at 25 °C
Phenol, tert-Buderivs., phosphates (3:1) Related Literature
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Jixiang Lin,Xiaoyuan Peng,Xiaoyu Hua,Shengnan Sun,Yingnan Wang,Xiufeng Yan RSC Adv. 2018 8 14500
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Hamidreza Ardalani,Maryam Hassanpour Moghadam,Roja Rahimi,Jalal Soltani,Azadeh Mozayanimonfared,Mehdi Moradi,Ali Azizi RSC Adv. 2016 6 11507
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Rekha Rose Koshy,Arunima Reghunadhan,Siji. K. Mary,Kiran Thomas,Ajish K. R.,Sabu Thomas,Laly A. Pothen New J. Chem. 2022 46 9036
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Periyasamy Sivagurunathan,Chiu-Yue Lin RSC Adv. 2016 6 4160
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Kulwa F. Miraji,Anita R. Linnemann,Vincenzo Fogliano,Henry S. Laswai,Edoardo Capuano Food Funct. 2021 12 7527
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