1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene

C27H22F2O2 — CID 129203352

IUPAC1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
SMILESFc1ccc(OCc2ccc(Cc3ccc(COc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H22F2O2/c28-24-9-13-26(14-10-24)30-18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-31-27-15-11-25(29)12-16-27/h1-16H,17-19H2
InChIKeyAXQFFKKMXLVFPE-UHFFFAOYSA-N
MW416.47 g/mol
LogP6.71
Rot. Bonds8

About 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene

1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene (PubChem CID 129203352) has the molecular formula C27H22F2O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
PubChem CID129203352
Molecular FormulaC27H22F2O2
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
SMILESFc1ccc(OCc2ccc(Cc3ccc(COc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H22F2O2/c28-24-9-13-26(14-10-24)30-18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-31-27-15-11-25(29)12-16-27/h1-16H,17-19H2
InChIKeyAXQFFKKMXLVFPE-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350603
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
1-azido-4-[(4-fluorophenyl)methoxy]benzene
CID 150502855

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene?
The IUPAC name of 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene (CID 129203352) is 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene?
The canonical SMILES for 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene is Fc1ccc(OCc2ccc(Cc3ccc(COc4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene?
The InChIKey is AXQFFKKMXLVFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2O2/c28-24-9-13-26(14-10-24)30-18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-31-27-15-11-25(29)12-16-27/h1-16H,17-19H2.
What are the key properties of 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene?
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene has a molecular weight of 416.47 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene is sourced from PubChem (CID 129203352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).