(1R,4R)-1-(4-Hydroxy-3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Catalog: |
BB064097 |
Product Name: |
(1R,4R)-1-(4-Hydroxy-3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol |
Synonyms: |
trans-1-(4-Hydroxy-3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol |
IUPAC Name: | (1R,4R)-1-(4-hydroxy-3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol |
Description: | (1R,4R)-1-(4-Hydroxy-3-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol is a useful research chemical. |
Molecular Weight: | 301.34 |
Molecular Formula: | C17H19NO4 |
Canonical SMILES: | CN1CC(C2=C(C1C3=CC(=C(C=C3)O)OC)C=CC(=C2)O)O |
InChI: | InChI=1S/C17H19NO4/c1-18-9-15(21)13-8-11(19)4-5-12(13)17(18)10-3-6-14(20)16(7-10)22-2/h3-8,15,17,19-21H,9H2,1-2H3/t15-,17+/m0/s1 |
InChI Key: | DSNBOXNNVAKOBZ-DOTOQJQBSA-N |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.13140809 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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