Triphenylmethanol

Introduction

CAS No. :	76-84-6	MDL No. :	MFCD00004445
Formula :	C19H16O	Boiling Point :	-
Linear Structure Formula :	OHC(C6H5)3	InChI Key :	LZTRCELOJRDYMQ-UHFFFAOYSA-N
M.W :	260.33	Pubchem ID :	6457
Synonyms :	Triphenylmethyl alcohol;Triphenylmethanol	Chemical Name :	Triphenylmethanol

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.05
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	81.43
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.83
Log Po/w (XLOGP3) :	3.68
Log Po/w (WLOGP) :	3.86
Log Po/w (MLOGP) :	4.33
Log Po/w (SILICOS-IT) :	4.41
Consensus Log Po/w :	3.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.24
Solubility :	0.015 mg/ml ; 0.0000575 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.79
Solubility :	0.0418 mg/ml ; 0.00016 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-6.91
Solubility :	0.0000322 mg/ml ; 0.000000124 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.98

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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