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CAS 162957-24-6 4-(4-Hydroxyphenyl)benzyl alcohol molecular structure lightbox
CAS RN: 162957-24-6

4-(4-Hydroxyphenyl)benzyl alcohol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS162957-24-6
  • Purity/Analytical Methods: >99.0%
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162957-24-6 / 4-[4-(hydroxymethyl)phenyl]phenol

Standard CAS: 162957-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162957-24-6
Multi CAS
No
Molecular Formula
C13H12O2
Molecular Weight
200.230000
Exact Mass
200.083730
SMILES
C1=CC(=CC=C1CO)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H12O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,14-15H,9H2
InChIKey
ITKOVDPTEKNQEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.47
TPSA
40.46

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.13

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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