1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene

C16H17FO3 — CID 127026687

IUPAC1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C16H17FO3/c1-18-14-6-8-16(9-7-14)20-12-13-2-4-15(5-3-13)19-11-10-17/h2-9H,10-12H2,1H3/i17-1
InChIKeyXOCGNPQSPRJPAT-SJPDSGJFSA-N
MW275.31 g/mol
LogP3.62
Rot. Bonds7

About 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene

1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene (PubChem CID 127026687) has the molecular formula C16H17FO3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
PubChem CID127026687
Molecular FormulaC16H17FO3
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C16H17FO3/c1-18-14-6-8-16(9-7-14)20-12-13-2-4-15(5-3-13)19-11-10-17/h2-9H,10-12H2,1H3/i17-1
InChIKeyXOCGNPQSPRJPAT-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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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene
CID 134092285
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
CID 13367652
N-[[4-(2-fluoroethoxy)phenyl]methyl]-N-methylhydroxylamine
CID 84775253
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene?
The IUPAC name of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene (CID 127026687) is 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene is COc1ccc(OCc2ccc(OCC[18F])cc2)cc1.
What is the InChIKey of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene?
The InChIKey is XOCGNPQSPRJPAT-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H17FO3/c1-18-14-6-8-16(9-7-14)20-12-13-2-4-15(5-3-13)19-11-10-17/h2-9H,10-12H2,1H3/i17-1.
What are the key properties of 1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene?
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]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-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 127026687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).