1-[4-(5-methylfuran-2-yl)phenyl]ethanone

C13H12O2 — CID 5167325

IUPAC1-[4-(5-methylfuran-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C13H12O2/c1-9-3-8-13(15-9)12-6-4-11(5-7-12)10(2)14/h3-8H,1-2H3
InChIKeyFXOZOMXGMIKOFD-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.46
Rot. Bonds2

About 1-[4-(5-methylfuran-2-yl)phenyl]ethanone

1-[4-(5-methylfuran-2-yl)phenyl]ethanone (PubChem CID 5167325) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)phenyl]ethanone
PubChem CID5167325
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-[4-(5-methylfuran-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C13H12O2/c1-9-3-8-13(15-9)12-6-4-11(5-7-12)10(2)14/h3-8H,1-2H3
InChIKeyFXOZOMXGMIKOFD-UHFFFAOYSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]ethanone (CID 5167325) is 1-[4-(5-methylfuran-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)phenyl]ethanone?
The InChIKey is FXOZOMXGMIKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-3-8-13(15-9)12-6-4-11(5-7-12)10(2)14/h3-8H,1-2H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)phenyl]ethanone?
1-[4-(5-methylfuran-2-yl)phenyl]ethanone has a molecular weight of 200.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)phenyl]ethanone is sourced from PubChem (CID 5167325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).