2-(Benzyloxy)phenol

Cat. No.: PI6272384

Product Details Other Identifiers Computed Properties

CAS	6272-38-4
Purity	98%
Molecular Formula	C13H12O2
Molecular Weight	200.23
Molar Refractivity	59.44

Pubchem ID	80459
InChI Key	CCZCXFHJMKINPE-UHFFFAOYSA-N
MDL Number	MFCD00002186

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	29.46 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.45
Log Po/w (XLOGP3)	2.75
Log Po/w (WLOGP)	2.82
Log Po/w (MLOGP)	2.69
Log Po/w (SILICOS-IT)	2.92
Consensus Log Po/w	2.72
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.57 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.54

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