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CAS 6642-39-3 1-(2-methoxyphenyl)-2-methyl-propan-1-ol molecular structure lightbox
CAS RN: 6642-39-3

1-(2-methoxyphenyl)-2-methyl-propan-1-ol

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6642-39-3
  • Purity/Analytical Methods: >99.0%
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6642-39-3 / 1-(2-methoxyphenyl)-2-methylpropan-1-ol

Standard CAS: 6642-39-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6642-39-3
Multi CAS
Yes
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
InChI
InChI=1S/C11H16O2/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8,11-12H,1-3H3
InChIKey
OBDRXZMOQALFEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.79
TPSA
29.46

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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