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

C18H21FO4 — CID 127025485

IUPAC1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C18H21FO4/c1-20-16-4-2-15(3-5-16)14-23-18-8-6-17(7-9-18)22-13-12-21-11-10-19/h2-9H,10-14H2,1H3
InChIKeyIOEZDBDACCMUIG-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.64
Rot. Bonds10

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

1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 127025485) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID127025485
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C18H21FO4/c1-20-16-4-2-15(3-5-16)14-23-18-8-6-17(7-9-18)22-13-12-21-11-10-19/h2-9H,10-14H2,1H3
InChIKeyIOEZDBDACCMUIG-UHFFFAOYSA-N
XLogP3.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene (CID 127025485) is 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(OCCOCCF)cc2)cc1.
What is the InChIKey of 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is IOEZDBDACCMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c1-20-16-4-2-15(3-5-16)14-23-18-8-6-17(7-9-18)22-13-12-21-11-10-19/h2-9H,10-14H2,1H3.
What are the key properties of 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene?
1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 320.36 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)ethoxy]-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 127025485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).