(5-Methoxy-1-benzofuran-2-yl)methanol - CAS 37603-26-2

Catalog:	BB076857
Product Name:	(5-Methoxy-1-benzofuran-2-yl)methanol
CAS:	37603-26-2
Synonyms:	(5-methoxybenzofuran-2-yl)methanol

Technical Data

IUPAC Name:	(5-methoxy-1-benzofuran-2-yl)methanol
Description:	(5-Methoxy-1-benzofuran-2-yl)methanol can be useful in the preparation of functionalized spirocyclic polycyclic hemiaminals or enamines via dearomatizing radical cyclizations and cyclization cascades triggered by electron-transfer reduction of amide-type carbonyls.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	COC1=CC2=C(C=C1)OC(=C2)CO
InChI:	InChI=1S/C10H10O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5,11H,6H2,1H3
InChI Key:	ZTGZJYZILIDGMD-UHFFFAOYSA-N
References:	Huang, H., et al. J. Am. Chem. Soc., 139, 1661 (2017).

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4