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CAS 100959-88-4 (2-Iodo-3-methyl-phenyl)-methanol molecular structure lightbox
CAS RN: 100959-88-4

(2-Iodo-3-methyl-phenyl)-methanol

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260314 100mg Out of stock Inquiry
Batchno.20251008 1g Out of stock Inquiry
Batchno.20250423 250mg Out of stock Inquiry
Batchno.20250408 5g Out of stock Inquiry
  • Product code: SSC-001747
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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: >98%
  • Inventory rows with stock: 4
  • 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 100959-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry

100959-88-4 / (2-iodo-3-methylphenyl)methanol

(2-iodo-3-methylphenyl)methanol | 2-iodo-3-methylbenzyl alcohol | (2-Iodo-3-methyl-phenyl)-methanol

Standard CAS: 100959-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100959-88-4
Multi CAS
No
Molecular Formula
C8H9IO
Molecular Weight
248.060000
Exact Mass
247.969810
SMILES
CC1=C(C(=CC=C1)CO)I
InChI
InChI=1S/C8H9IO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5H2,1H3
InChIKey
NVDGNIBWPJTMDL-UHFFFAOYSA-N
Synonyms
(2-iodo-3-methylphenyl)methanol 2-iodo-3-methylbenzyl alcohol (2-Iodo-3-methyl-phenyl)-methanol MFCD18397810 SCHEMBL4528003

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.82
TPSA
20.23

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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