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CAS 1818-07-1 n-Octyl Phenyl Ether molecular structure lightbox
CAS RN: 1818-07-1

n-Octyl Phenyl Ether

  • Product code: SSC-082610
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1818-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ≥95% 0 Out of Stock Shanghai Inquiry

1818-07-1 / octoxybenzene

Standard CAS: 1818-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818-07-1
Multi CAS
No
Molecular Formula
C14H22O
Molecular Weight
206.320000
Exact Mass
206.167065
SMILES
CCCCCCCCOC1=CC=CC=C1
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
ZPIRTVJRHUMMOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
65.31
TPSA
9.23

LogP / Solubility

WLOGP
4.43
MLOGP
3.9
XLogP3
5.5
Consensus LogP
4.61
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

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)
-0.84

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

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