CAS RN: 124526-56-3

[1,1′:3′,1”-Terphenyl]-4,4”-diol

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  • Product code: starshine_CAS124526-56-3
  • Purity/Analytical Methods: >99.0%
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124526-56-3 / 4-[3-(4-hydroxyphenyl)phenyl]phenol

Standard CAS: 124526-56-3 Multi CAS: No

Basic Information

CAS
124526-56-3
Multi CAS
No
Molecular Formula
C18H14O2
Molecular Weight
262.300000
Exact Mass
262.099380
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
InChIKey
JEOMZHWGIQNWFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.64
TPSA
40.46

LogP / Solubility

WLOGP
4.43
MLOGP
3.91
XLogP3
4.5
Consensus LogP
4.28
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

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

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