5-Hydroxy-3-phenylbenzoic Acid - CAS 35489-88-4

Catalog:	BB060903
Product Name:	5-Hydroxy-3-phenylbenzoic Acid
CAS:	35489-88-4
Synonyms:	5- Hydroxy-[1, 1'- biphenyl] - 3- carboxylic Acid

Technical Data

IUPAC Name:	3-hydroxy-5-phenylbenzoic acid
Description:	5-Hydroxy-3-phenylbenzoic Acid can be used in biological study of preparation and identification of hydroxybenzoic acids as lactate receptor agonists and antilipolytics. It can also be used in discovery of new series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Molecular Weight:	214.22
Molecular Formula:	C13H10O3
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=CC(=C2)O)C(=O)O
InChI:	InChI=1S/C13H10O3/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
InChI Key:	YALBISYENZHRMZ-UHFFFAOYSA-N
Melting Point:	226 - 229°C
Solubility:	Acetonitrile (Slightly), DMSO (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C Freezer
References:	Duffy, B. C., et al. Bioorg Med Chem Lett, 25, 2818 (2015), Dvorak, C. A., et al. ACS Med Chem Lett, 3, 637 (2012).

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.062994177
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7