5-[4-(4-fluorophenyl)phenyl]-2-propyloxane

C20H23FO — CID 21247531

IUPAC5-[4-(4-fluorophenyl)phenyl]-2-propyloxane
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C20H23FO/c1-2-3-20-13-10-18(14-22-20)17-6-4-15(5-7-17)16-8-11-19(21)12-9-16/h4-9,11-12,18,20H,2-3,10,13-14H2,1H3
InChIKeyQNLWWIMEFKGIRQ-UHFFFAOYSA-N
MW298.40 g/mol
LogP5.56
Rot. Bonds4

About 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane

5-[4-(4-fluorophenyl)phenyl]-2-propyloxane (PubChem CID 21247531) has the molecular formula C20H23FO and a molecular weight of 298.40 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)phenyl]-2-propyloxane
PubChem CID21247531
Molecular FormulaC20H23FO
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name5-[4-(4-fluorophenyl)phenyl]-2-propyloxane
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C20H23FO/c1-2-3-20-13-10-18(14-22-20)17-6-4-15(5-7-17)16-8-11-19(21)12-9-16/h4-9,11-12,18,20H,2-3,10,13-14H2,1H3
InChIKeyQNLWWIMEFKGIRQ-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane?
The IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane (CID 21247531) is 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane.
What is the SMILES notation for 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane?
The canonical SMILES for 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane is CCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1.
What is the InChIKey of 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane?
The InChIKey is QNLWWIMEFKGIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO/c1-2-3-20-13-10-18(14-22-20)17-6-4-15(5-7-17)16-8-11-19(21)12-9-16/h4-9,11-12,18,20H,2-3,10,13-14H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane?
5-[4-(4-fluorophenyl)phenyl]-2-propyloxane has a molecular weight of 298.40 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)phenyl]-2-propyloxane is sourced from PubChem (CID 21247531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).