Cas no 105072-18-2 (2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)- (9CI))
105072-18-2 structure
Product Name:2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)- (9CI)
CAS No:105072-18-2
MF:C21H24O4
MW:340.412866592407
CID:226180
PubChem ID:181385
Update Time:2025-04-19
2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)- (9CI)
- 4'-O-Methylpreglabridin
- DTXSID10909318
- 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)-
- 3-(2-Hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-ol
- 105072-18-2
- CHEMBL503741
- (3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan
-
- Inchi： 1S/C21H24O4/c1-13(2)4-7-18-19(22)9-5-14-10-15(12-25-21(14)18)17-8-6-16(24-3)11-20(17)23/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3/t15-/m1/s1
- InChI Key： CFIGHBKJMKQTBW-OAHLLOKOSA-N
- SMILES： O1C2C(=C(C=CC=2C[C@@H](C2C=CC(=CC=2O)OC)C1)O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 340.16752
- Monoisotopic Mass: 340.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 459
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.92
2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-, (S)- (9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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