α-(2-Methoxyphenyl)-2-pyridinemethanol - CAS 27652-91-1

Catalog:	BB076362
Product Name:	α-(2-Methoxyphenyl)-2-pyridinemethanol
CAS:	27652-91-1
Synonyms:	2-Methoxyphenyl-(2-pyridyl)methanol;(2-Methoxyphenyl)(pyridin-2-yl)methanol

Technical Data

IUPAC Name:	(2-methoxyphenyl)-pyridin-2-ylmethanol
Description:	α-(2-Methoxyphenyl)-2-pyridinemethanol is an intermediate in the synthesis of 2,4'-(2-Pyridinyl-2methylene)diphenol (P991840), an impurity of Bisacodyl (B400800), cathartic.
Molecular Weight:	215.25
Molecular Formula:	C13H13NO2
Canonical SMILES:	COC1=CC=CC=C1C(C2=CC=CC=N2)O
InChI:	InChI=1S/C13H13NO2/c1-16-12-8-3-2-6-10(12)13(15)11-7-4-5-9-14-11/h2-9,13,15H,1H3
InChI Key:	RYTMGNRIMAHOFD-UHFFFAOYSA-N
References:	Schmidt, et al. Arzneim.-Forsch., 3, 19 (1953), Wald, A., et al. J. Clin. Gastroenterol., 36, 386 (2003),.

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.094628657
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5