4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene

C20H16ClFO — CID 23391196

IUPAC4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C20H16ClFO/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3
InChIKeyARDXUTXAIXHSSG-UHFFFAOYSA-N
MW326.80 g/mol
LogP6.21
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene

4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene (PubChem CID 23391196) has the molecular formula C20H16ClFO and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene
PubChem CID23391196
Molecular FormulaC20H16ClFO
Molecular Weight326.80 g/mol
Exact Mass326.09
IUPAC Name4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C20H16ClFO/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3
InChIKeyARDXUTXAIXHSSG-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene (CID 23391196) is 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene is CCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene?
The InChIKey is ARDXUTXAIXHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFO/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene?
4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene has a molecular weight of 326.80 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2-fluorobenzene is sourced from PubChem (CID 23391196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).