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CAS 167145-13-3 2-(3-Methoxyphenethyl)phenol molecular structure lightbox
CAS RN: 167145-13-3

2-(3-Methoxyphenethyl)phenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-072911
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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: 1g
  • Available purity: ＞97%
  • 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 167145-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

167145-13-3 / 2-[2-(3-methoxyphenyl)ethyl]phenol

Standard CAS: 167145-13-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
167145-13-3
Multi CAS
No
Molecular Formula
C15H16O2
Molecular Weight
228.290000
Exact Mass
228.115030
SMILES
COC1=CC=CC(=C1)CCC2=CC=CC=C2O
InChI
InChI=1S/C15H16O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-8,11,16H,9-10H2,1H3
InChIKey
HGQQRAXOBYWKDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.51
TPSA
29.46

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.8
Consensus LogP
3.27
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.85

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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