2-Cyclohexylethanol

Introduction

CAS No. :	4442-79-9	MDL No. :	MFCD00001525
Formula :	C8H16O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QJQZRLXDLORINA-UHFFFAOYSA-N
M.W :	128.21	Pubchem ID :	20508
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	39.62
TPSA :	20.23 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) :	-5.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.17
Log Po/w (XLOGP3) :	2.64
Log Po/w (WLOGP) :	1.95
Log Po/w (MLOGP) :	1.83
Log Po/w (SILICOS-IT) :	2.13
Consensus Log Po/w :	2.14

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.17
Solubility :	0.875 mg/ml ; 0.00682 mol/l
Class :	Soluble
Log S (Ali) :	-2.72
Solubility :	0.247 mg/ml ; 0.00193 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.51
Solubility :	3.95 mg/ml ; 0.0308 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.53

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H312	Packing Group:	N/A
GHS Pictogram:

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