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CAS 53574-80-4 2-Phenoxy-2-phenylethanol molecular structure lightbox
CAS RN: 53574-80-4

2-Phenoxy-2-phenylethanol

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 1g In stock Shandong Inquiry
Batchno.20250924 250mg In stock Shanghai Inquiry
Batchno.20250422 25g Out of stock 5-7 business days Inquiry
Batchno.20250807 5g In stock Shanghai, Shandong Inquiry
  • Product code: LINP928424
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53574-80-4 / 2-phenoxy-2-phenylethanol

Standard CAS: 53574-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53574-80-4
Multi CAS
No
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
InChI
InChI=1S/C14H14O2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKey
NXTGLBMUSIXDDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.34
TPSA
29.46

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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