3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one

C11H10O3 — CID 122185031

IUPAC3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one
SMILESCc1cccc(C2=C(O)COC2=O)c1
InChIInChI=1S/C11H10O3/c1-7-3-2-4-8(5-7)10-9(12)6-14-11(10)13/h2-5,12H,6H2,1H3
InChIKeyDGBHPASBPJEKLO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.82
Rot. Bonds1

About 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one

3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one (PubChem CID 122185031) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one
PubChem CID122185031
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one
SMILESCc1cccc(C2=C(O)COC2=O)c1
InChIInChI=1S/C11H10O3/c1-7-3-2-4-8(5-7)10-9(12)6-14-11(10)13/h2-5,12H,6H2,1H3
InChIKeyDGBHPASBPJEKLO-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one (CID 122185031) is 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one is Cc1cccc(C2=C(O)COC2=O)c1.
What is the InChIKey of 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one?
The InChIKey is DGBHPASBPJEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-3-2-4-8(5-7)10-9(12)6-14-11(10)13/h2-5,12H,6H2,1H3.
What are the key properties of 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one?
3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 122185031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).