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CAS 118909-86-7 4-But-3-enoxyphenol molecular structure lightbox
CAS RN: 118909-86-7

4-But-3-enoxyphenol

  • Product code: SSC-019126
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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: 5g
  • 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 118909-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

118909-86-7 / 4-but-3-enoxyphenol

4-But-3-enoxyphenol | 4-(but-3-enyloxy)phenol | Phenol, 4-(3-butenyloxy)-

Standard CAS: 118909-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118909-86-7
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
C=CCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2,4-7,11H,1,3,8H2
InChIKey
BKQYNWJOMDZBMG-UHFFFAOYSA-N
Synonyms
4-But-3-enoxyphenol 4-(but-3-enyloxy)phenol Phenol, 4-(3-butenyloxy)- MFCD20290340 4-(3-butenyloxy)phenol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.42
TPSA
29.46

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.06

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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