(Tetrahydrofuran-2-yl)methanol

Introduction

CAS No. :	97-99-4	MDL No. :	MFCD00005372
Formula :	C5H10O2	Boiling Point :	-
Linear Structure Formula :	C4H7O(CH2OH)	InChI Key :	-
M.W :	102.13	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
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 :	26.28
TPSA :	29.46 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) :	-9.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.37
Log Po/w (XLOGP3) :	-3.9
Log Po/w (WLOGP) :	0.16
Log Po/w (MLOGP) :	-0.16
Log Po/w (SILICOS-IT) :	1.02
Consensus Log Po/w :	-0.3

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	2.05
Solubility :	11500.0 mg/ml ; 112.0 mol/l
Class :	Highly soluble
Log S (Ali) :	3.88
Solubility :	770000.0 mg/ml ; 7540.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.25
Solubility :	57.0 mg/ml ; 0.558 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.04

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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