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CAS 1123786-84-4 2-(3-Methyloxetan-3-yl)phenol molecular structure lightbox
CAS RN: 1123786-84-4

2-(3-Methyloxetan-3-yl)phenol

  • Product code: SSC-012810
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1123786-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Beijing Inquiry

1123786-84-4 / 2-(3-methyloxetan-3-yl)phenol

2-(3-Methyloxetan-3-yl)phenol | MFCD17215852 | 2-(3-Methyl-3-oxetanyl)phenol

Standard CAS: 1123786-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123786-84-4
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
CC1(COC1)C2=CC=CC=C2O
InChI
InChI=1S/C10H12O2/c1-10(6-12-7-10)8-4-2-3-5-9(8)11/h2-5,11H,6-7H2,1H3
InChIKey
PSTJEWHGTJEIOP-UHFFFAOYSA-N
Synonyms
2-(3-Methyloxetan-3-yl)phenol MFCD17215852 2-(3-Methyl-3-oxetanyl)phenol DTXSID901307157 AKOS022186360

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.28
TPSA
29.46

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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