5-Methoxy-2-tetralone

Cat. No.: PI32940151

Product Details Other Identifiers Computed Properties

CAS	32940-15-1
Purity	95%
Molecular Formula	C11H12O2
Linear Formula	C6H3OCH3CH2CH2COCH2
Molecular Weight	176.21
Molar Refractivity	50.57

Pubchem ID	259194
InChI Key	MDAIAXRTLTVEOU-UHFFFAOYSA-N
MDL Number	MFCD00064958

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.36
Log Po/w (iLOGP)	2.13
Log Po/w (XLOGP3)	1.57
Log Po/w (WLOGP)	1.75
Log Po/w (MLOGP)	1.64
Log Po/w (SILICOS-IT)	3.0
Consensus Log Po/w	2.02
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.26 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.99

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