2-(2-Methoxyethoxy)ethanol

Introduction

CAS No. :	111-77-3	MDL No. :	MFCD00002871
Formula :	C5H12O3	Boiling Point :	-
Linear Structure Formula :	HO(C2H4O)2CH3	InChI Key :	SBASXUCJHJRPEV-UHFFFAOYSA-N
M.W :	120.15	Pubchem ID :	8134
Synonyms :		Chemical Name :	2-(2-Methoxyethoxy)ethanol

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	29.48
TPSA :	38.69 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.68 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.68
Log Po/w (XLOGP3) :	-0.91
Log Po/w (WLOGP) :	-0.36
Log Po/w (MLOGP) :	-0.65
Log Po/w (SILICOS-IT) :	0.18
Consensus Log Po/w :	-0.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.32
Solubility :	250.0 mg/ml ; 2.08 mol/l
Class :	Highly soluble
Log S (Ali) :	0.58
Solubility :	457.0 mg/ml ; 3.81 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.74
Solubility :	21.7 mg/ml ; 0.181 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.12

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P201-P202-P210-P280-P308+P313-P370+P378-P403+P235-P405-P501	UN#:	N/A
Hazard Statements:	H227-H361	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine