1-(Tetrahydro-2H-pyran-4-yl)ethanol

Introduction

CAS No. :	66956-74-9	MDL No. :	MFCD17015952
Formula :	C7H14O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HNSFAXPMNOFMQI-UHFFFAOYSA-N
M.W :	130.18	Pubchem ID :	12411803
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.9
TPSA :	29.46 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.87
Log Po/w (XLOGP3) :	0.57
Log Po/w (WLOGP) :	0.79
Log Po/w (MLOGP) :	0.57
Log Po/w (SILICOS-IT) :	1.38
Consensus Log Po/w :	1.04

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.94
Solubility :	14.9 mg/ml ; 0.115 mol/l
Class :	Very soluble
Log S (Ali) :	-0.76
Solubility :	22.6 mg/ml ; 0.173 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.6
Solubility :	32.6 mg/ml ; 0.251 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.51

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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