[email protected]
CAS 110482-75-2 4-(Octyloxy)benzyl chloride molecular structure lightbox
CAS RN: 110482-75-2

4-(Octyloxy)benzyl chloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS110482-75-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

110482-75-2 / 1-(chloromethyl)-4-octoxybenzene

1-(CHLOROMETHYL)-4-(OCTYLOXY)BENZENE | DTXSID10562902 | RefChem:226362

Standard CAS: 110482-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110482-75-2
Multi CAS
No
Molecular Formula
C15H23ClO
Molecular Weight
254.790000
Exact Mass
254.143743
SMILES
CCCCCCCCOC1=CC=C(C=C1)CCl
InChI
InChI=1S/C15H23ClO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12-13H2,1H3
InChIKey
OFVQMKNVOIJMNJ-UHFFFAOYSA-N
Synonyms
1-(CHLOROMETHYL)-4-(OCTYLOXY)BENZENE DTXSID10562902 RefChem:226362 DTXCID30513678 Benzene, 1-(chloromethyl)-4-(octyloxy)-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
74.87
TPSA
9.23

LogP / Solubility

WLOGP
5.16
MLOGP
4.55
XLogP3
5.8
Consensus LogP
5.17
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.61

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

Customers Also Viewed

Get In Touch

Contact Us