1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene

C20H25FO5 — CID 126512451

IUPAC1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C20H25FO5/c1-22-18-4-2-17(3-5-18)16-26-20-8-6-19(7-9-20)25-15-14-24-13-12-23-11-10-21/h2-9H,10-16H2,1H3
InChIKeyHTVHRWBQWAJYIS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.66
Rot. Bonds13

About 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene

1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 126512451) has the molecular formula C20H25FO5 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID126512451
Molecular FormulaC20H25FO5
Molecular Weight364.41 g/mol
Exact Mass364.17
IUPAC Name1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C20H25FO5/c1-22-18-4-2-17(3-5-18)16-26-20-8-6-19(7-9-20)25-15-14-24-13-12-23-11-10-21/h2-9H,10-16H2,1H3
InChIKeyHTVHRWBQWAJYIS-UHFFFAOYSA-N
XLogP3.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene (CID 126512451) is 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1.
What is the InChIKey of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is HTVHRWBQWAJYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO5/c1-22-18-4-2-17(3-5-18)16-26-20-8-6-19(7-9-20)25-15-14-24-13-12-23-11-10-21/h2-9H,10-16H2,1H3.
What are the key properties of 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 364.41 g/mol, XLogP of 3.66, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 126512451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).