(4-Fluorophenyl)methanol

Introduction

CAS No. :	459-56-3	MDL No. :	MFCD00004651
Formula :	C7H7FO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GEZMEIHVFSWOCA-UHFFFAOYSA-N
M.W :	126.13	Pubchem ID :	68022
Synonyms :		Chemical Name :	(4-Fluorophenyl)methanol

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	32.53
TPSA :	20.23 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) :	-6.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.76
Log Po/w (XLOGP3) :	1.36
Log Po/w (WLOGP) :	1.59
Log Po/w (MLOGP) :	1.97
Log Po/w (SILICOS-IT) :	2.12
Consensus Log Po/w :	1.76

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.91
Solubility :	1.57 mg/ml ; 0.0124 mol/l
Class :	Very soluble
Log S (Ali) :	-1.39
Solubility :	5.17 mg/ml ; 0.041 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.46
Solubility :	0.433 mg/ml ; 0.00344 mol/l
Class :	Soluble

Medicinal Chemistry

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

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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