4-(Benzyloxy)-3-methoxybenzaldehyde

Cat. No.: PI2426871

Product Details Other Identifiers Computed Properties

CAS	2426-87-1
Purity	98%
Molecular Formula	C15H14O3
Linear Formula	C6H5CH2OCH3OC6H3CHO
Molecular Weight	242.27
Molar Refractivity	69.3

Pubchem ID	75506
InChI Key	JSHLOPGSDZTEGQ-UHFFFAOYSA-N
MDL Number	MFCD00003365

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	5
Topological Polar Surface Area	35.53 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.13
Log Po/w (iLOGP)	2.48
Log Po/w (XLOGP3)	2.71
Log Po/w (WLOGP)	2.93
Log Po/w (MLOGP)	2.24
Log Po/w (SILICOS-IT)	3.59
Consensus Log Po/w	2.79
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.85 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.93

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