1-(3,4-dimethylfuran-2-yl)propan-2-one

C9H12O2 — CID 20837804

IUPAC1-(3,4-dimethylfuran-2-yl)propan-2-one
SMILESCC(=O)Cc1occ(C)c1C
InChIInChI=1S/C9H12O2/c1-6-5-11-9(8(6)3)4-7(2)10/h5H,4H2,1-3H3
InChIKeyOCLWWKVQBQNYPO-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.03
Rot. Bonds2

About 1-(3,4-dimethylfuran-2-yl)propan-2-one

1-(3,4-dimethylfuran-2-yl)propan-2-one (PubChem CID 20837804) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(3,4-dimethylfuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylfuran-2-yl)propan-2-one
PubChem CID20837804
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(3,4-dimethylfuran-2-yl)propan-2-one
SMILESCC(=O)Cc1occ(C)c1C
InChIInChI=1S/C9H12O2/c1-6-5-11-9(8(6)3)4-7(2)10/h5H,4H2,1-3H3
InChIKeyOCLWWKVQBQNYPO-UHFFFAOYSA-N
XLogP2.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylfuran-2-yl)propan-2-one?
The IUPAC name of 1-(3,4-dimethylfuran-2-yl)propan-2-one (CID 20837804) is 1-(3,4-dimethylfuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethylfuran-2-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethylfuran-2-yl)propan-2-one is CC(=O)Cc1occ(C)c1C.
What is the InChIKey of 1-(3,4-dimethylfuran-2-yl)propan-2-one?
The InChIKey is OCLWWKVQBQNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-11-9(8(6)3)4-7(2)10/h5H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethylfuran-2-yl)propan-2-one?
1-(3,4-dimethylfuran-2-yl)propan-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylfuran-2-yl)propan-2-one is sourced from PubChem (CID 20837804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).