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

C11H10O4 — CID 158278941

IUPAC2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=CC(Oc2cccc(O)c2)OC1=O
InChIInChI=1S/C11H10O4/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10,12H,1H3
InChIKeyGJYUBRMYWYCVPP-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.60
Rot. Bonds2

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

2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one (PubChem CID 158278941) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one
PubChem CID158278941
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one
SMILESCC1=CC(Oc2cccc(O)c2)OC1=O
InChIInChI=1S/C11H10O4/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10,12H,1H3
InChIKeyGJYUBRMYWYCVPP-UHFFFAOYSA-N
XLogP1.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one?
The IUPAC name of 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one (CID 158278941) is 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one is CC1=CC(Oc2cccc(O)c2)OC1=O.
What is the InChIKey of 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one?
The InChIKey is GJYUBRMYWYCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-7-5-10(15-11(7)13)14-9-4-2-3-8(12)6-9/h2-6,10,12H,1H3.
What are the key properties of 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one?
2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one has a molecular weight of 206.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 158278941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).