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CAS 1860-60-2 3-BENZYLOXY-4-METHOXYBENZYL ALCOHOL molecular structure lightbox
CAS RN: 1860-60-2

3-BENZYLOXY-4-METHOXYBENZYL ALCOHOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1860-60-2
  • Purity/Analytical Methods: >99.0%
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1860-60-2 / (4-methoxy-3-phenylmethoxyphenyl)methanol

Standard CAS: 1860-60-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1860-60-2
Multi CAS
No
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
SMILES
COC1=C(C=C(C=C1)CO)OCC2=CC=CC=C2
InChI
InChI=1S/C15H16O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKey
USBKCBSYNCWKLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.69
TPSA
38.69

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.2
Consensus LogP
2.47
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.25

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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