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CAS 143212-74-2 2-[2-(3-Methoxyphenyl)ethenyl]phenol molecular structure lightbox
CAS RN: 143212-74-2

2-[2-(3-Methoxyphenyl)ethenyl]phenol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS143212-74-2
  • Purity/Analytical Methods: >99.0%
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143212-74-2 / 2-[2-(3-methoxyphenyl)ethenyl]phenol

Standard CAS: 143212-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143212-74-2
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
COC1=CC=CC(=C1)C=CC2=CC=CC=C2O
InChI
InChI=1S/C15H14O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-11,16H,1H3
InChIKey
CKADNPRLDAEDMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.03
TPSA
29.46

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.8
Consensus LogP
3.51
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
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)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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