1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

C23H22F2O — CID 23391130

IUPAC1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H22F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26-4-2)22(25)15-19/h6-15H,3-5H2,1-2H3
InChIKeyNSUHZPVIMCUROW-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.65
Rot. Bonds6

About 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (PubChem CID 23391130) has the molecular formula C23H22F2O and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
PubChem CID23391130
Molecular FormulaC23H22F2O
Molecular Weight352.42 g/mol
Exact Mass352.16
IUPAC Name1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H22F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26-4-2)22(25)15-19/h6-15H,3-5H2,1-2H3
InChIKeyNSUHZPVIMCUROW-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (CID 23391130) is 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The InChIKey is NSUHZPVIMCUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26-4-2)22(25)15-19/h6-15H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene has a molecular weight of 352.42 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 23391130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).