1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene

C23H22FIO2 — CID 15582674

IUPAC1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(I)cc1
InChIInChI=1S/C23H22FIO2/c1-23(2,18-9-11-19(25)12-10-18)16-26-15-17-8-13-21(24)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyHDJPFKSMKATVGF-UHFFFAOYSA-N
MW476.33 g/mol
LogP6.72
Rot. Bonds7

About 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene

1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene (PubChem CID 15582674) has the molecular formula C23H22FIO2 and a molecular weight of 476.33 g/mol. Its IUPAC name is 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
PubChem CID15582674
Molecular FormulaC23H22FIO2
Molecular Weight476.33 g/mol
Exact Mass476.06
IUPAC Name1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(I)cc1
InChIInChI=1S/C23H22FIO2/c1-23(2,18-9-11-19(25)12-10-18)16-26-15-17-8-13-21(24)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyHDJPFKSMKATVGF-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.33
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[[2-methyl-2-(4-methylsulfanylphenyl)propoxy]methyl]-2-phenoxybenzene
CID 15582659
4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
1-fluoro-4-[[2-methyl-2-[4-(trifluoromethoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 14155770
1-fluoro-4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 15582667
2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]phenol
CID 139695064
2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-4-(trifluoromethyl)thiophene
CID 70453848
4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-(2-fluorophenoxy)benzene
CID 15582677
4-[[2-(4-tert-butylphenyl)-2-chloro-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516999
1,3-dichloro-5-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-2-propan-2-yloxybenzene
CID 139636475
4-[[2-[4-(difluoromethoxy)phenyl]-2,3-dimethylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 23313970
4-[[2-chloro-3,3,3-trifluoro-2-(4-fluorophenyl)propoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516994
2-(4-bromophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
CID 14516951

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene?
The IUPAC name of 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene (CID 15582674) is 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene.
What is the SMILES notation for 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene?
The canonical SMILES for 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene is CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(I)cc1.
What is the InChIKey of 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene?
The InChIKey is HDJPFKSMKATVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FIO2/c1-23(2,18-9-11-19(25)12-10-18)16-26-15-17-8-13-21(24)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene?
1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene has a molecular weight of 476.33 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene is sourced from PubChem (CID 15582674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).