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CAS 1475-10-1 Benzenemethanol, a-methyl-4-(1-methylethyl)- molecular structure lightbox
CAS RN: 1475-10-1

Benzenemethanol, a-methyl-4-(1-methylethyl)-

  • Product code: SSC-058122
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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: ≥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 1475-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1475-10-1 / 1-(4-propan-2-ylphenyl)ethanol

Standard CAS: 1475-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1475-10-1
Multi CAS
No
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
SMILES
CC(C)C1=CC=C(C=C1)C(C)O
InChI
InChI=1S/C11H16O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9,12H,1-3H3
InChIKey
LPWMXVJCBUKVQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.16
TPSA
20.23

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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