3-(2-fluoro-4-methylphenoxy)oxolan-2-one

C11H11FO3 — CID 143191698

IUPAC3-(2-fluoro-4-methylphenoxy)oxolan-2-one
SMILESCc1ccc(OC2CCOC2=O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-7-2-3-9(8(12)6-7)15-10-4-5-14-11(10)13/h2-3,6,10H,4-5H2,1H3
InChIKeyZUHULPWLBTZCKE-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.83
Rot. Bonds2

About 3-(2-fluoro-4-methylphenoxy)oxolan-2-one

3-(2-fluoro-4-methylphenoxy)oxolan-2-one (PubChem CID 143191698) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenoxy)oxolan-2-one
PubChem CID143191698
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name3-(2-fluoro-4-methylphenoxy)oxolan-2-one
SMILESCc1ccc(OC2CCOC2=O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-7-2-3-9(8(12)6-7)15-10-4-5-14-11(10)13/h2-3,6,10H,4-5H2,1H3
InChIKeyZUHULPWLBTZCKE-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenoxy)oxolan-2-one?
The IUPAC name of 3-(2-fluoro-4-methylphenoxy)oxolan-2-one (CID 143191698) is 3-(2-fluoro-4-methylphenoxy)oxolan-2-one.
What is the SMILES notation for 3-(2-fluoro-4-methylphenoxy)oxolan-2-one?
The canonical SMILES for 3-(2-fluoro-4-methylphenoxy)oxolan-2-one is Cc1ccc(OC2CCOC2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenoxy)oxolan-2-one?
The InChIKey is ZUHULPWLBTZCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-7-2-3-9(8(12)6-7)15-10-4-5-14-11(10)13/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 3-(2-fluoro-4-methylphenoxy)oxolan-2-one?
3-(2-fluoro-4-methylphenoxy)oxolan-2-one has a molecular weight of 210.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenoxy)oxolan-2-one is sourced from PubChem (CID 143191698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).