2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane

C15H13FO3 — CID 67442762

IUPAC2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
SMILESFc1ccc(Oc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C15H13FO3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,15H,8-9H2
InChIKeyQQEIXJHSAOUQGV-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.66
Rot. Bonds3

About 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane

2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane (PubChem CID 67442762) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
PubChem CID67442762
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
SMILESFc1ccc(Oc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C15H13FO3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,15H,8-9H2
InChIKeyQQEIXJHSAOUQGV-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane (CID 67442762) is 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane is Fc1ccc(Oc2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane?
The InChIKey is QQEIXJHSAOUQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c16-12-4-6-13(7-5-12)19-14-3-1-2-11(10-14)15-17-8-9-18-15/h1-7,10,15H,8-9H2.
What are the key properties of 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane?
2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane has a molecular weight of 260.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane is sourced from PubChem (CID 67442762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).