5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene

C22H24F2O — CID 162702604

IUPAC5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene
SMILESCCc1ccc(C2=C(COc3c(F)cc(CC)cc3F)CCC2)cc1
InChIInChI=1S/C22H24F2O/c1-3-15-8-10-17(11-9-15)19-7-5-6-18(19)14-25-22-20(23)12-16(4-2)13-21(22)24/h8-13H,3-7,14H2,1-2H3
InChIKeyOUYBRBUAHRGBJG-UHFFFAOYSA-N
MW342.43 g/mol
LogP6.11
Rot. Bonds6

About 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene

5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene (PubChem CID 162702604) has the molecular formula C22H24F2O and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene
PubChem CID162702604
Molecular FormulaC22H24F2O
Molecular Weight342.43 g/mol
Exact Mass342.18
IUPAC Name5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene
SMILESCCc1ccc(C2=C(COc3c(F)cc(CC)cc3F)CCC2)cc1
InChIInChI=1S/C22H24F2O/c1-3-15-8-10-17(11-9-15)19-7-5-6-18(19)14-25-22-20(23)12-16(4-2)13-21(22)24/h8-13H,3-7,14H2,1-2H3
InChIKeyOUYBRBUAHRGBJG-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene?
The IUPAC name of 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene (CID 162702604) is 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene.
What is the SMILES notation for 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene?
The canonical SMILES for 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene is CCc1ccc(C2=C(COc3c(F)cc(CC)cc3F)CCC2)cc1.
What is the InChIKey of 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene?
The InChIKey is OUYBRBUAHRGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O/c1-3-15-8-10-17(11-9-15)19-7-5-6-18(19)14-25-22-20(23)12-16(4-2)13-21(22)24/h8-13H,3-7,14H2,1-2H3.
What are the key properties of 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene?
5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene has a molecular weight of 342.43 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene is sourced from PubChem (CID 162702604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).