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CAS 16274-34-3 1-Hydroxy-2-prenylnaphthalene molecular structure lightbox
CAS RN: 16274-34-3

1-Hydroxy-2-prenylnaphthalene

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Batchno.20250107 5mg Out of stock Inquiry
  • Product code: starshine_CAS16274-34-3
  • Purity/Analytical Methods: >99.0%
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16274-34-3 / 2-(3-methylbut-2-enyl)naphthalen-1-ol

Standard CAS: 16274-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16274-34-3
Multi CAS
No
Molecular Formula
C15H16O
Molecular Weight
212.290000
Exact Mass
212.120115
SMILES
CC(=CCC1=C(C2=CC=CC=C2C=C1)O)C
InChI
InChI=1S/C15H16O/c1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)15(13)16/h3-7,9-10,16H,8H2,1-2H3
InChIKey
UEMWMIJHPZVYLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.75
TPSA
20.23

LogP / Solubility

WLOGP
4.05
MLOGP
3.57
XLogP3
4.7
Consensus LogP
4.11
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

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

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