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

C23H22F2O2 — CID 3067151

IUPAC1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene
SMILESCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H22F2O2/c1-23(2,18-6-8-19(24)9-7-18)16-26-15-17-4-3-5-22(14-17)27-21-12-10-20(25)11-13-21/h3-14H,15-16H2,1-2H3
InChIKeyTUOLMSRJZDAQDY-UHFFFAOYSA-N
MW368.42 g/mol
LogP6.25
Rot. Bonds7

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

1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene (PubChem CID 3067151) has the molecular formula C23H22F2O2 and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene
PubChem CID3067151
Molecular FormulaC23H22F2O2
Molecular Weight368.42 g/mol
Exact Mass368.16
IUPAC Name1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene
SMILESCC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H22F2O2/c1-23(2,18-6-8-19(24)9-7-18)16-26-15-17-4-3-5-22(14-17)27-21-12-10-20(25)11-13-21/h3-14H,15-16H2,1-2H3
InChIKeyTUOLMSRJZDAQDY-UHFFFAOYSA-N
XLogP6.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 56.25
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-methylpropoxy]methyl]phenoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene (CID 3067151) is 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene is CC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
The InChIKey is TUOLMSRJZDAQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2O2/c1-23(2,18-6-8-19(24)9-7-18)16-26-15-17-4-3-5-22(14-17)27-21-12-10-20(25)11-13-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene?
1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene has a molecular weight of 368.42 g/mol, XLogP of 6.25, 7 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-methylpropoxy]methyl]phenoxy]benzene is sourced from PubChem (CID 3067151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).