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CAS 142627-91-6 4-(6-Hydroxyhexyloxy)phenol molecular structure lightbox
CAS RN: 142627-91-6

4-(6-Hydroxyhexyloxy)phenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS142627-91-6
  • Purity/Analytical Methods: >99.0%
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142627-91-6 / 4-(6-hydroxyhexoxy)phenol

Standard CAS: 142627-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142627-91-6
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
C1=CC(=CC=C1O)OCCCCCCO
InChI
InChI=1S/C12H18O3/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8,13-14H,1-4,9-10H2
InChIKey
UVYBETTVKBAZFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.16
TPSA
49.69

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.8
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)
-2.35

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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