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CAS 106797-69-7 3-(3-PHENOXY-PHENYL)-PROPAN-1-OL molecular structure lightbox
CAS RN: 106797-69-7

3-(3-PHENOXY-PHENYL)-PROPAN-1-OL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106797-69-7
  • Purity/Analytical Methods: >99.0%
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106797-69-7 / 3-(3-phenoxyphenyl)propan-1-ol

3-(3-phenoxyphenyl)propan-1-ol | Benzenepropanol,3-phenoxy- | 3-Phenoxy-benzenepropanol

Standard CAS: 106797-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106797-69-7
Multi CAS
No
Molecular Formula
C15H16O2
Molecular Weight
228.290000
Exact Mass
228.115030
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCO
InChI
InChI=1S/C15H16O2/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2
InChIKey
KAZMRBRDDGQJGV-UHFFFAOYSA-N
Synonyms
3-(3-phenoxyphenyl)propan-1-ol Benzenepropanol,3-phenoxy- 3-Phenoxy-benzenepropanol 3-(3-PHENOXY-PHENYL)-PROPAN-1-OL MFCD09028720

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.36
TPSA
29.46

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
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)
-1.7

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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