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CAS 1655-68-1 m-phenoxyanisole molecular structure lightbox
CAS RN: 1655-68-1

m-phenoxyanisole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1655-68-1
  • Purity/Analytical Methods: >99.0%
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1655-68-1 / 1-methoxy-3-phenoxybenzene

Standard CAS: 1655-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1655-68-1
Multi CAS
No
Molecular Formula
C13H12O2
Molecular Weight
200.230000
Exact Mass
200.083730
SMILES
COC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H12O2/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
CBVXNDCIOLXDFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.51
TPSA
18.46

LogP / Solubility

WLOGP
3.49
MLOGP
3.07
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.47

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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