1-(2-Methoxyphenoxy)-2,3-epoxypropane

Name: 1-(2-Methoxyphenoxy)-2,3-epoxypropane
SKU: PI2210744
Rating: 5 (1 reviews)

Cat. No.: PI2210744

Product Details Other Identifiers Computed Properties

CAS	2210-74-4
Purity	95%
Molecular Formula	C10H12O3
Molecular Weight	180.20
Molar Refractivity	48.01

Pubchem ID	98357
InChI Key	RJNVSQLNEALZLC-UHFFFAOYSA-N
MDL Number	MFCD00190158

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	30.99 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.4
Log Po/w (iLOGP)	2.3
Log Po/w (XLOGP3)	1.56
Log Po/w (WLOGP)	1.47
Log Po/w (MLOGP)	0.83
Log Po/w (SILICOS-IT)	2.4
Consensus Log Po/w	1.71
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.29 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.41

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