1,4-bis-(3-Hydroxyphenoxy)benzene
Product Information
Molecular Formula
C18H14O4
Molecular Weight
294.3
Description
1,4-bis-(3-Hydroxyphenoxy)benzene is a pharmaceutical intermediate used predominantly in bio-medical research. It plays a crucial role in the synthesis of drugs designed to treat hormonal disorders, primarily due to its estrogenic properties.
Synonyms
Hydroquinone Bis(3-hydroxyphenyl) Ether
IUPAC Name
3-[4-(3-hydroxyphenoxy)phenoxy]phenol
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)OC3=CC=CC(=C3)O)O
InChI
InChI=1S/C18H14O4/c19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18/h1-12,19-20H
InChI Key
CHBWEVDVYGBMEJ-UHFFFAOYSA-N
Melting Point
126 °C
Purity
>96.0%(GC)
Appearance
Light yellow to Brown powder to crystal
Computed Properties
XLogP3
4.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
294.08920892 g/mol
Monoisotopic Mass
294.08920892 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
295
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
