[email protected]
CAS 1031927-88-4 1-(4-Ethoxyphenyl)-1-propanol molecular structure lightbox
CAS RN: 1031927-88-4

1-(4-Ethoxyphenyl)-1-propanol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1031927-88-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1031927-88-4 / 1-(4-ethoxyphenyl)propan-1-ol

1-(4-ethoxyphenyl)propan-1-ol | DTXSID20626105 | RefChem:225113

Standard CAS: 1031927-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031927-88-4
Multi CAS
No
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
SMILES
CCC(C1=CC=C(C=C1)OCC)O
InChI
InChI=1S/C11H16O2/c1-3-11(12)9-5-7-10(8-6-9)13-4-2/h5-8,11-12H,3-4H2,1-2H3
InChIKey
BJTFSJALTYYMKU-UHFFFAOYSA-N
Synonyms
1-(4-ethoxyphenyl)propan-1-ol DTXSID20626105 RefChem:225113 DTXCID20576858 BJTFSJALTYYMKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.86
TPSA
29.46

LogP / Solubility

WLOGP
2.53
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.41
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us