1-(5-methylfuran-2-yl)propan-2-one

C8H10O2 — CID 6429113

IUPAC1-(5-methylfuran-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc(C)o1
InChIInChI=1S/C8H10O2/c1-6(9)5-8-4-3-7(2)10-8/h3-4H,5H2,1-2H3
InChIKeyBDIRNQMRQINOKT-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.72
Rot. Bonds2

About 1-(5-methylfuran-2-yl)propan-2-one

1-(5-methylfuran-2-yl)propan-2-one (PubChem CID 6429113) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)propan-2-one
PubChem CID6429113
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(5-methylfuran-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc(C)o1
InChIInChI=1S/C8H10O2/c1-6(9)5-8-4-3-7(2)10-8/h3-4H,5H2,1-2H3
InChIKeyBDIRNQMRQINOKT-UHFFFAOYSA-N
XLogP1.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Pentylfuran
CID 19602
2-Acetyl-5-Methylfuran
CID 14514
2-Ethylfuran
CID 18554
3-Acetyl-2,5-dimethylfuran
CID 61527
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
2-Heptylfuran
CID 19603
2-Furyl pentyl ketone
CID 61738
Furfuryl methyl ketone
CID 228583
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)propan-2-one?
The IUPAC name of 1-(5-methylfuran-2-yl)propan-2-one (CID 6429113) is 1-(5-methylfuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)propan-2-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)propan-2-one is CC(=O)Cc1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)propan-2-one?
The InChIKey is BDIRNQMRQINOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6(9)5-8-4-3-7(2)10-8/h3-4H,5H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)propan-2-one?
1-(5-methylfuran-2-yl)propan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)propan-2-one is sourced from PubChem (CID 6429113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).