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3,5-Dihydroxystilbene

3,5-Dihydroxystilbene structure

CAS No:
102-61-4
Formula:
C14H12O2
Chemical Name:
3,5-Dihydroxystilbene
Synonyms:
1,3-Benzenediol,5-(2-phenylethenyl)-;Resorcinol,5-styryl-;3,5-Stilbenediol;5-(2-Phenylethenyl)-1,3-benzenediol;3,5-Dihydroxystilbene;5-Styrylresorcinol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-Dihydroxystilbene Basic Attributes

Molecular Weight：

212.248

Exact Mass：

212.24

Characteristics

PSA：

40.5

XLogP3：

3.5

Melting Point：

155.5-156 °C

Safety Information

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

3,5-dihydroxystilbene

3,5-Dihydroxystilbene Use and Manufacturing

This trans-stilbene derivative (FW = 212.25 g/mol; CAS 102-61-4; M.P. = 155.5-156°C; low solubility in water), also known as (E) -3,5-stilbenediol and trans-3,5-dihydroxystilbene and named systematically as 5-[ (E) -2- phenylethenyl]benzene-1,3-diol, occurs naturally in the hardwood of pine and other woody plants. Pinosylvin exxhibits micromolar Ki values for specific isozymes of stilbene synthase and chalcone synthase. Target (s) : chalcone synthase; stilbene synthase; tyrosinase, or mo

Computed Properties

Molecular Weight:212.24
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:212.083729621
Monoisotopic Mass:212.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:16
Complexity:221
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes