CAS RN: 1038726-89-4
(2-chloro-6-methoxyphenyl)methanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1038726-89-4
- Purity/Analytical Methods: >99.0%
1038726-89-4 / (2-chloro-6-methoxyphenyl)methanol
(2-Chloro-6-methoxyphenyl)methanol | 2-Chloro-6-methoxybenzyl alcohol | [2-Chloro-6-(methyloxy)phenyl]methanol
Basic Information
CAS
1038726-89-4
Multi CAS
No
Molecular Formula
C8H9ClO2
Molecular Weight
172.610000
Exact Mass
172.029107
SMILES
COC1=C(C(=CC=C1)Cl)CO
InChI
InChI=1S/C8H9ClO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4,10H,5H2,1H3
InChIKey
GHQPIROAMKRZSZ-UHFFFAOYSA-N
Synonyms
(2-Chloro-6-methoxyphenyl)methanol
2-Chloro-6-methoxybenzyl alcohol
[2-Chloro-6-(methyloxy)phenyl]methanol
SCHEMBL695851
GHQPIROAMKRZSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.93
TPSA
29.46
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.69
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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