(4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone - CAS 276690-14-3

Catalog:	BB076852
Product Name:	(4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone
CAS:	276690-14-3
Synonyms:	(4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone; (4S)-7-(4-methoxyphenoxy)-4-methylheptan-3-one; (S)-7-(4-Methoxyphenoxy)-4-methylheptan-3-one; (4S)-4-Methyl-7-(4-methoxyphenoxy)heptane-3-one

Technical Data

IUPAC Name:	(4S)-7-(4-methoxyphenoxy)-4-methylheptan-3-one
Description:	(4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone is an intermediate in the preparation of Stigmatellin A (S686780).
Molecular Weight:	250.33
Molecular Formula:	C15H22O3
Canonical SMILES:	CCC(=O)C(C)CCCOC1=CC=C(C=C1)OC
InChI:	InChI=1S/C15H22O3/c1-4-15(16)12(2)6-5-11-18-14-9-7-13(17-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3/t12-/m0/s1
InChI Key:	CVAVAUHZFACPLY-LBPRGKRZSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	Clear Oil
References:	Enders, D. et al. Chem. Eur. J., 6, 1302 (2000).

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	250.15689456
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.15689456
Rotatable Bond Count:	8
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3