1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene

C24H24F2O2 — CID 3067111

IUPAC1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H24F2O2/c1-3-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26)12-14-22/h4-15H,3,16-17H2,1-2H3
InChIKeyKBCPBRZMDBIRRH-UHFFFAOYSA-N
MW382.45 g/mol
LogP6.64
Rot. Bonds8

About 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene

1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene (PubChem CID 3067111) has the molecular formula C24H24F2O2 and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
PubChem CID3067111
Molecular FormulaC24H24F2O2
Molecular Weight382.45 g/mol
Exact Mass382.17
IUPAC Name1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H24F2O2/c1-3-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26)12-14-22/h4-15H,3,16-17H2,1-2H3
InChIKeyKBCPBRZMDBIRRH-UHFFFAOYSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene (CID 3067111) is 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene is CCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene?
The InChIKey is KBCPBRZMDBIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O2/c1-3-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26)12-14-22/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene?
1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene has a molecular weight of 382.45 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene is sourced from PubChem (CID 3067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).