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

C23H29FO — CID 21247710

IUPAC5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C23H29FO/c1-2-3-4-5-6-23-16-13-21(17-25-23)20-9-7-18(8-10-20)19-11-14-22(24)15-12-19/h7-12,14-15,21,23H,2-6,13,16-17H2,1H3
InChIKeyCFWKCAXFZJDFMW-UHFFFAOYSA-N
MW340.48 g/mol
LogP6.73
Rot. Bonds7

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

5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane (PubChem CID 21247710) has the molecular formula C23H29FO and a molecular weight of 340.48 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane
PubChem CID21247710
Molecular FormulaC23H29FO
Molecular Weight340.48 g/mol
Exact Mass340.22
IUPAC Name5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C23H29FO/c1-2-3-4-5-6-23-16-13-21(17-25-23)20-9-7-18(8-10-20)19-11-14-22(24)15-12-19/h7-12,14-15,21,23H,2-6,13,16-17H2,1H3
InChIKeyCFWKCAXFZJDFMW-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane?
The IUPAC name of 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane (CID 21247710) is 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane.
What is the SMILES notation for 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane?
The canonical SMILES for 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane is CCCCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CO1.
What is the InChIKey of 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane?
The InChIKey is CFWKCAXFZJDFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO/c1-2-3-4-5-6-23-16-13-21(17-25-23)20-9-7-18(8-10-20)19-11-14-22(24)15-12-19/h7-12,14-15,21,23H,2-6,13,16-17H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane?
5-[4-(4-fluorophenyl)phenyl]-2-hexyloxane has a molecular weight of 340.48 g/mol, XLogP of 6.73, 7 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-hexyloxane is sourced from PubChem (CID 21247710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).