15833-61-1 (Tetrahydrofuran-3-yl)methanol

Introduction

CAS No. :	15833-61-1	MDL No. :	MFCD00075198
Formula :	C5H10O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PCPUMGYALMOCHF-UHFFFAOYSA-N
M.W :	102.13	Pubchem ID :	139980
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) :	-9.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.4
Log Po/w (XLOGP3) :	-4.25
Log Po/w (WLOGP) :	0.02
Log Po/w (MLOGP) :	-0.16
Log Po/w (SILICOS-IT) :	1.02
Consensus Log Po/w :	-0.39

Druglikeness

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

Water Solubility

Log S (ESOL) :	2.27
Solubility :	19000.0 mg/ml ; 186.0 mol/l
Class :	Highly soluble
Log S (Ali) :	4.24
Solubility :	1780000.0 mg/ml ; 17400.0 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 :	2.36

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H227-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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