4-(4-Hydroxyphenyl)cyclohexanone

Cat. No.: PI105640071

Product Details Other Identifiers Computed Properties

CAS	105640-07-1
Purity	95%
Molecular Formula	C12H14O2
Molecular Weight	190.24
Molar Refractivity	55.55

Pubchem ID	4598916
InChI Key	SLJYPZJZQIHNGU-UHFFFAOYSA-N
MDL Number	MFCD00210693

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.42
Log Po/w (iLOGP)	1.81
Log Po/w (XLOGP3)	1.94
Log Po/w (WLOGP)	2.62
Log Po/w (MLOGP)	1.92
Log Po/w (SILICOS-IT)	2.83
Consensus Log Po/w	2.23
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.08 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	1.37

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