4,4'-Dihydroxy-trans-α-methylstilbene - CAS 35752-78-4

Catalog:	BB067512
Product Name:	4,4'-Dihydroxy-trans-α-methylstilbene
CAS:	35752-78-4
Synonyms:	4,4'-[(1E)-1-Methyl-1,2-ethenediyl]bis-phenol

Technical Data

IUPAC Name:	4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
Description:	4,4'-Dihydroxy-trans-α-methylstilbene is an intermediate used to synthesize thermotropic liquid crystalline polymers.
Molecular Weight:	226.27
Molecular Formula:	C15H14O2
Canonical SMILES:	CC(=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI:	InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+
InChI Key:	PMNXCGMIMVLCRP-ZHACJKMWSA-N
Melting Point:	>129°C (dec.)
Solubility:	Methanol (Slightly), Water (Slightly, Heated, Sonicated)
Appearance:	Off-White to Pale Orange Solid
Storage:	4°C
References:	Rameshbabau, K., et al. Liquid Crystals, 31, 843 (2004); Percec, V., et al. Polymer Preprints, 30, 444 (1989); De Backer, C., et al. Macromol. Chem. Phys., 196, 1495 (1995).

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	226.099379685
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.099379685
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1