1-(6-Methoxynaphthalen-2-yl)ethanol

Introduction

CAS No. :	77301-42-9	MDL No. :	MFCD01632581
Formula :	C13H14O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OUVJWFRUESFCCY-UHFFFAOYSA-N
M.W :	202.25	Pubchem ID :	575523
Synonyms :	Naproxen Impurity K	Chemical Name :	1-(6-Methoxynaphthalen-2-yl)ethanol

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.23
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	61.37
TPSA :	29.46 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.59
Log Po/w (XLOGP3) :	2.82
Log Po/w (WLOGP) :	2.58
Log Po/w (MLOGP) :	2.46
Log Po/w (SILICOS-IT) :	3.0
Consensus Log Po/w :	2.69

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.23
Solubility :	0.119 mg/ml ; 0.000586 mol/l
Class :	Soluble
Log S (Ali) :	-3.1
Solubility :	0.162 mg/ml ; 0.000801 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.07
Solubility :	0.0173 mg/ml ; 0.0000857 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.48

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312+P330	UN#:	N/A
Hazard Statements:	H302+H312+H332-H413	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