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CAS 106912-94-1 2′-METHYL[1,1′-BIPHENYL]-3-OL molecular structure lightbox
CAS RN: 106912-94-1

2′-METHYL[1,1′-BIPHENYL]-3-OL

  • Product code: SSC-008412
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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: 0.25g, 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 106912-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

106912-94-1 / 2-methyl-3-phenylphenol

2-Methyl-[1,1'-biphenyl]-3-ol | 2-methyl-3-phenylphenol | MFCD24715211

Standard CAS: 106912-94-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106912-94-1
Multi CAS
Yes
Molecular Formula
C13H12O
Molecular Weight
184.230000
Exact Mass
184.088815
SMILES
CC1=C(C=CC=C1O)C2=CC=CC=C2
InChI
InChI=1S/C13H12O/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9,14H,1H3
InChIKey
RDCHMDPGLCHQQM-UHFFFAOYSA-N
Synonyms
2-Methyl-[1,1'-biphenyl]-3-ol 2-methyl-3-phenylphenol MFCD24715211 2/'-METHYL[1,1/'-BIPHENYL]-3-OL 2-Methylbiphenyl-3-ol

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.28
TPSA
20.23

LogP / Solubility

WLOGP
3.37
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

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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