CAS RN: 4383-18-0
2-PHENYL-2-PENTANOL
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS4383-18-0
- Purity/Analytical Methods: >99.0%
4383-18-0 / 2-phenylpentan-2-ol
Basic Information
CAS
4383-18-0
Multi CAS
Yes
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
InChI
InChI=1S/C11H16O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3
InChIKey
YBQOTTAEVBHNEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.92
TPSA
20.23
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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