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CAS 34577-30-5 1-(2-Methylphenyl)-2-methyl-2-propanol molecular structure lightbox
CAS RN: 34577-30-5

1-(2-Methylphenyl)-2-methyl-2-propanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINM927363
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34577-30-5 / 2-methyl-1-(2-methylphenyl)propan-2-ol

Standard CAS: 34577-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34577-30-5
Multi CAS
No
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
InChI
InChI=1S/C11H16O/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKey
NWWKYANPAPELTR-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
51.18
TPSA
20.23

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.9
Consensus LogP
2.41
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.08

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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