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CAS 81890-62-2 [2-(2-fluorophenoxy)phenyl]methanol molecular structure lightbox
CAS RN: 81890-62-2

[2-(2-fluorophenoxy)phenyl]methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250206 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81890-62-2
  • Purity/Analytical Methods: >99.0%
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81890-62-2 / [2-(2-fluorophenoxy)phenyl]methanol

Standard CAS: 81890-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81890-62-2
Multi CAS
No
Molecular Formula
C13FH11O2
Molecular Weight
218.220000
Exact Mass
218.074308
InChI
InChI=1S/C13H11FO2/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8,15H,9H2
InChIKey
OIOMPOUVFZRWNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.84
TPSA
29.46

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
2.7
Consensus LogP
2.85
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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