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CAS 343351-47-3 1-(3-methoxyphenyl)-2-phenylethanol molecular structure lightbox
CAS RN: 343351-47-3

1-(3-methoxyphenyl)-2-phenylethanol

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  • Product code: starshine_CAS343351-47-3
  • Purity/Analytical Methods: >99.0%
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343351-47-3 / 1-(3-methoxyphenyl)-2-phenylethanol

Standard CAS: 343351-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343351-47-3
Multi CAS
No
Molecular Formula
C15H16O2
Molecular Weight
228.290000
Exact Mass
228.115030
InChI
InChI=1S/C15H16O2/c1-17-14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h2-9,11,15-16H,10H2,1H3
InChIKey
BCOIOUFGMAXMQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.1
TPSA
29.46

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-2

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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