2-Pentyl-4,6-bis(phenylmethoxy)benzoic Acid - CAS 104307-50-8

Catalog:	BB058325
Product Name:	2-Pentyl-4,6-bis(phenylmethoxy)benzoic Acid
CAS:	104307-50-8
Synonyms:	2,4-Bis(benzyloxy)-6-pentylbenzoic acid; 2-pentyl-4,6-bis(phenylmethoxy)benzoic acid; 2-Pentyl-4,6-bis(benzyloxy)benzoic acid

Technical Data

IUPAC Name:	2-pentyl-4,6-bis(phenylmethoxy)benzoic acid
Description:	2-Pentyl-4,6-bis(phenylmethoxy)benzoic Acid is an intermediate in the synthesis of Olivetolic Acid (O5330005). Olivetolic Acid is a precursor in the synthesis of primin and tetrahydrocannabinol.
Molecular Weight:	404.5
Molecular Formula:	C26H28O4
Canonical SMILES:	CCCCCC1=C(C(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)O
InChI:	InChI=1S/C26H28O4/c1-2-3-6-15-22-16-23(29-18-20-11-7-4-8-12-20)17-24(25(22)26(27)28)30-19-21-13-9-5-10-14-21/h4-5,7-14,16-17H,2-3,6,15,18-19H2,1H3,(H,27,28)
InChI Key:	XRDZDGQVLMWIKA-UHFFFAOYSA-N
References:	Schilmiller, A. L., et al. Plant J., 54, 702 (2008).

Complexity:	481
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	404.19875937
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	404.19875937
Rotatable Bond Count:	11
Topological Polar Surface Area:	55.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8