1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one

C9H14O3 — CID 130579372

IUPAC1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)C1=COCC1
InChIInChI=1S/C9H14O3/c1-6(2)8(10)9(11)7-3-4-12-5-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyQKMYIURAQILOSY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one

1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one (PubChem CID 130579372) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one
PubChem CID130579372
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)C1=COCC1
InChIInChI=1S/C9H14O3/c1-6(2)8(10)9(11)7-3-4-12-5-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyQKMYIURAQILOSY-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one (CID 130579372) is 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one is CC(C)C(O)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one?
The InChIKey is QKMYIURAQILOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)8(10)9(11)7-3-4-12-5-7/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one has a molecular weight of 170.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 130579372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).