Cas no 919090-22-5 (3,5-Heptanediol, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-)
919090-22-5 structure
Product Name:3,5-Heptanediol, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-
CAS No:919090-22-5
MF:C20H26O5
MW:346.417446613312
CID:766729
PubChem ID:45359948
Update Time:2025-04-19
3,5-Heptanediol, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Heptanediol, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-
- 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diol
- 3,5-dihydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane
- SCHEMBL23229861
- 919090-22-5
- DTXSID60670107
-
- Inchi： 1S/C20H26O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,17-18,21-24H,4-5,9-10,13H2,1H3
- InChI Key： BFNDWBVORMUOIA-UHFFFAOYSA-N
- SMILES： OC(CCC1C=CC(=C(C=1)OC)O)CC(CCC1C=CC(=CC=1)O)O
Computed Properties
- Exact Mass: 346.17802393g/mol
- Monoisotopic Mass: 346.17802393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 356
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 90.2?2
3,5-Heptanediol, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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