4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one

C13H14O4 — CID 22114274

IUPAC4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one
SMILESCC(C)(O)c1ccc(OC2=CCOC2=O)cc1
InChIInChI=1S/C13H14O4/c1-13(2,15)9-3-5-10(6-4-9)17-11-7-8-16-12(11)14/h3-7,15H,8H2,1-2H3
InChIKeyFKLFUJOVWSBLEX-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.73
Rot. Bonds3

About 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one

4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one (PubChem CID 22114274) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one.

Molecular Properties

Compound Name4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one
PubChem CID22114274
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one
SMILESCC(C)(O)c1ccc(OC2=CCOC2=O)cc1
InChIInChI=1S/C13H14O4/c1-13(2,15)9-3-5-10(6-4-9)17-11-7-8-16-12(11)14/h3-7,15H,8H2,1-2H3
InChIKeyFKLFUJOVWSBLEX-UHFFFAOYSA-N
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one?
The IUPAC name of 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one (CID 22114274) is 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one.
What is the SMILES notation for 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one?
The canonical SMILES for 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one is CC(C)(O)c1ccc(OC2=CCOC2=O)cc1.
What is the InChIKey of 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one?
The InChIKey is FKLFUJOVWSBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-13(2,15)9-3-5-10(6-4-9)17-11-7-8-16-12(11)14/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one?
4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one has a molecular weight of 234.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxypropan-2-yl)phenoxy]-2H-furan-5-one is sourced from PubChem (CID 22114274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).