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

C23H22ClFO2 — CID 3068470

IUPAC4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyRKFZFWKPMXSTJD-UHFFFAOYSA-N
MW384.88 g/mol
LogP6.77
Rot. Bonds7

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

4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene (PubChem CID 3068470) has the molecular formula C23H22ClFO2 and a molecular weight of 384.88 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
PubChem CID3068470
Molecular FormulaC23H22ClFO2
Molecular Weight384.88 g/mol
Exact Mass384.13
IUPAC Name4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyRKFZFWKPMXSTJD-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.88
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene (CID 3068470) is 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene is CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The InChIKey is RKFZFWKPMXSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene has a molecular weight of 384.88 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 3068470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).