2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one

C11H9ClO3 — CID 132538545

IUPAC2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=CC(Oc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H9ClO3/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10H,1H3
InChIKeyRGBLAQZFIYBFCP-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one

2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one (PubChem CID 132538545) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one
PubChem CID132538545
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=CC(Oc2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H9ClO3/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10H,1H3
InChIKeyRGBLAQZFIYBFCP-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one?
The IUPAC name of 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one (CID 132538545) is 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one is CC1=CC(Oc2cccc(Cl)c2)OC1=O.
What is the InChIKey of 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one?
The InChIKey is RGBLAQZFIYBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10H,1H3.
What are the key properties of 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one?
2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one has a molecular weight of 224.64 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 132538545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).