1-Chloro-3-methoxybenzene

Name: 1-Chloro-3-methoxybenzene
SKU: PI2845898
Rating: 5 (1 reviews)

Cat. No.: PI2845898

Product Details Other Identifiers Computed Properties

CAS	2845-89-8
Purity	98%
Molecular Formula	C7H7ClO
Molecular Weight	142.58
Molar Refractivity	37.94

Pubchem ID	17833
InChI Key	YUKILTJWFRTXGB-UHFFFAOYSA-N
MDL Number	MFCD00000591

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	1
Topological Polar Surface Area	9.23 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.14
Log Po/w (iLOGP)	2.19
Log Po/w (XLOGP3)	2.98
Log Po/w (WLOGP)	2.35
Log Po/w (MLOGP)	2.41
Log Po/w (SILICOS-IT)	2.48
Consensus Log Po/w	2.48
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.05 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.23

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