Cas no 150346-21-7 (2,3-Butanediol,1,4-bis(4-hydroxyphenyl)-, (2R,3S)-rel-)
150346-21-7 structure
Product Name:2,3-Butanediol,1,4-bis(4-hydroxyphenyl)-, (2R,3S)-rel-
CAS No:150346-21-7
MF:C16H18O4
MW:274.311725139618
CID:188904
PubChem ID:44148327
Update Time:2025-04-19
2,3-Butanediol,1,4-bis(4-hydroxyphenyl)-, (2R,3S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butanediol,1,4-bis(4-hydroxyphenyl)-, (2R,3S)-rel-
- 1,4-bis(4-hydroxyphenyl)butane-2,3-diol
- 1,4-Di-(4-hydroxyphenyl)-2,3-butanediol
- 2,3-Butanediol, 1,4-bis(4-hydroxyphenyl)-, (R*,S*)-
- Diolmycin B1
- Diolmycin B2
- SCHEMBL450874
- 150346-21-7
- DTXSID50933910
-
- Inchi： 1S/C16H18O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15-20H,9-10H2
- InChI Key： HSXZRJJGRJUHLX-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC(=CC=1)O)C(CC1C=CC(=CC=1)O)O
Computed Properties
- Exact Mass: 274.12054
- Monoisotopic Mass: 274.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.9A^2
- XLogP3: 2.2
Experimental Properties
- Density: 1.315g/cm3
- Boiling Point: 544.1oC at 760 mmHg
- Flash Point: 263.6oC
- Refractive Index: 1.652
- PSA: 80.92
- LogP: 1.60480
2,3-Butanediol,1,4-bis(4-hydroxyphenyl)-, (2R,3S)-rel- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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