1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene

C16H17FO3 — CID 127025484

IUPAC1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C16H17FO3/c1-18-14-4-2-13(3-5-14)12-20-16-8-6-15(7-9-16)19-11-10-17/h2-9H,10-12H2,1H3/i17-1
InChIKeyJCAQQOLIETVPQV-SJPDSGJFSA-N
MW275.31 g/mol
LogP3.62
Rot. Bonds7

About 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene

1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 127025484) has the molecular formula C16H17FO3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID127025484
Molecular FormulaC16H17FO3
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C16H17FO3/c1-18-14-4-2-13(3-5-14)12-20-16-8-6-15(7-9-16)19-11-10-17/h2-9H,10-12H2,1H3/i17-1
InChIKeyJCAQQOLIETVPQV-SJPDSGJFSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene (CID 127025484) is 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(OCC[18F])cc2)cc1.
What is the InChIKey of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is JCAQQOLIETVPQV-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H17FO3/c1-18-14-4-2-13(3-5-14)12-20-16-8-6-15(7-9-16)19-11-10-17/h2-9H,10-12H2,1H3/i17-1.
What are the key properties of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene?
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 275.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 127025484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).