1-(4-Hydroxyphenyl)-2-chloroethanol - CAS 4973-17-5

Catalog:	BB063631
Product Name:	1-(4-Hydroxyphenyl)-2-chloroethanol
CAS:	4973-17-5
Synonyms:	α-(Chloromethyl)-p-hydroxy-benzyl Alcohol; α-(Chloromethyl)-4-hydroxy-benzenemethanol

Technical Data

IUPAC Name:	4-(2-chloro-1-hydroxyethyl)phenol
Description:	1-(4-Hydroxyphenyl)-2-chloroethanol is synthesized from 2-Chloro-1-(4-hydroxy-phenyl)-ethanone. 2-Chloro-1-(4-hydroxy-phenyl)-ethanone is a reagent that is used in the preparation of hydroxypyrimidine derivatives and their HDAC (histone deacetylases) inhibitory activity.
Molecular Weight:	172.61
Molecular Formula:	C8H9ClO2
Canonical SMILES:	C1=CC(=CC=C1C(CCl)O)O
InChI:	InChI=1S/C8H9ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5H2
InChI Key:	LIRPGLPOHOMCQF-UHFFFAOYSA-N
References:	Kemp, M.M., et al. Bioorg. Med. Chem. Lett., 21, 4164 (2011).

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0291072
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.0291072
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4