3-[4-(benzyloxy)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol hydrochloride

3-[4-(benzyloxy)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol hydrochloride

CAS: 1841081-56-8

Formula: C22H30ClNO3

SMILES: Cl.CN(C)CC1CC(CCC1(O)C1=CC=CC(O)=C1)OCC1=CC=CC=C1

IUPAC: 3-[4-(benzyloxy)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol hydrochloride

InChI: InChI=1/C22H29NO3.ClH/c1-23(2)15-19-14-21(26-16-17-7-4-3-5-8-17)11-12-22(19,25)18-9-6-10-20(24)13-18;/h3-10,13,19,21,24-25H,11-12,14-16H2,1-2H3;1H

Composition: C (67.42%), H (7.72%), Cl (9.04%), N (3.57%), O (12.25%)

Molar Mass: 391.94

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	391.1914215
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FYZAOONCMZPBAR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.82
Topological Polar Surface Area	52.93
Polarizability	41.05
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1841081-56-8		$99.62-$158.89$99.62$158.89