3-(1,1-Dimethylheptyl)phenol - CAS 70120-12-6

Catalog:	BB067025
Product Name:	3-(1,1-Dimethylheptyl)phenol
CAS:	70120-12-6
Synonyms:	3-(2-Methyloctan-2-yl)phenol; 3-(1,1-Dimethylheptyl)phenol; Phenol, 3-(1,1-dimethylheptyl)-; 3-(1,1-dimethylheptyl)-phenol; 2-(3-Hydroxyphenyl)-2-methyloctane

Technical Data

IUPAC Name:	3-(2-methyloctan-2-yl)phenol
Description:	Used in the preparation of a cannabinoid receptor ligand and 3-[2-Hydroxy-4-(substituted) phenyl]azacycloalkanes as analgesic agents.
Molecular Weight:	220.35
Molecular Formula:	C15H24O
Canonical SMILES:	CCCCCCC(C)(C)C1=CC(=CC=C1)O
InChI:	InChI=1S/C15H24O/c1-4-5-6-7-11-15(2,3)13-9-8-10-14(16)12-13/h8-10,12,16H,4-7,11H2,1-3H3
InChI Key:	KAQDSPLBLFEXRU-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance:	Light Yellow Oil

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.182715385
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.182715385
Rotatable Bond Count:	6
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.9