Cas no 55508-15-1 (Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-)
55508-15-1 structure
Product Name:Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-
CAS No:55508-15-1
MF:C18H20I2O2
MW:522.159150123596
CID:375961
PubChem ID:171452
Update Time:2025-04-19
Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-
- 1-iodohexestrol
- Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-iodo-, (R*,S*)-
- 55508-15-1
-
- Inchi: 1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14+
- InChI Key: JHLLTEJRPPJGGQ-OKILXGFUSA-N
- SMILES: IC1=C(C=CC(=C1)[C@@H](CC)[C@H](C1C=CC(=C(C=1)I)O)CC)O
Computed Properties
- Exact Mass: 521.9544
- Monoisotopic Mass: 521.95528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
55508-15-1 (Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-) Related Products
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