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CAS 1020929-44-5 [2-(2-methoxyethoxy)phenyl]methanol molecular structure lightbox
CAS RN: 1020929-44-5

[2-(2-methoxyethoxy)phenyl]methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1020929-44-5
  • Purity/Analytical Methods: >99.0%
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1020929-44-5 / [2-(2-methoxyethoxy)phenyl]methanol

[2-(2-methoxyethoxy)phenyl]methanol | MFCD11149625 | SCHEMBL19167836

Standard CAS: 1020929-44-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1020929-44-5
Multi CAS
No
Molecular Formula
C10H14O3
Molecular Weight
182.220000
Exact Mass
182.094294
SMILES
COCCOC1=CC=CC=C1CO
InChI
InChI=1S/C10H14O3/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5,11H,6-8H2,1H3
InChIKey
HXEBVCPVUXBLLS-UHFFFAOYSA-N
Synonyms
[2-(2-methoxyethoxy)phenyl]methanol MFCD11149625 SCHEMBL19167836 VQB92944 AKOS000247638

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.74
TPSA
38.69

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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