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CAS 20107-40-8 (S)-1,2,3,4-tetrahydronaphthalen-2-ol molecular structure lightbox
CAS RN: 20107-40-8

(S)-1,2,3,4-tetrahydronaphthalen-2-ol

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  • Product code: starshine_CAS20107-40-8
  • Purity/Analytical Methods: >99.0%
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20107-40-8 / (2S)-1,2,3,4-tetrahydronaphthalen-2-ol

Standard CAS: 20107-40-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20107-40-8
Multi CAS
No
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
SMILES
C1CC2=CC=CC=C2C[C@H]1O
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2/t10-/m0/s1
InChIKey
JWQYZECMEPOAPF-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.47
TPSA
20.23

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
2.3
Consensus LogP
1.73
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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