2-methyl-4-(4-methylphenyl)-2H-furan-5-one

C12H12O2 — CID 506531

IUPAC2-methyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2=CC(C)OC2=O)cc1
InChIInChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-9(2)14-12(11)13/h3-7,9H,1-2H3
InChIKeyCFKFIQRGLCDNGV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.32
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)-2H-furan-5-one

2-methyl-4-(4-methylphenyl)-2H-furan-5-one (PubChem CID 506531) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-2H-furan-5-one
PubChem CID506531
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-methyl-4-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2=CC(C)OC2=O)cc1
InChIInChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-9(2)14-12(11)13/h3-7,9H,1-2H3
InChIKeyCFKFIQRGLCDNGV-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-2H-furan-5-one (CID 506531) is 2-methyl-4-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-2H-furan-5-one is Cc1ccc(C2=CC(C)OC2=O)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is CFKFIQRGLCDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-9(2)14-12(11)13/h3-7,9H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)-2H-furan-5-one?
2-methyl-4-(4-methylphenyl)-2H-furan-5-one has a molecular weight of 188.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 506531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).