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

C8H12O3 — CID 130579355

IUPAC1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)C1=COCC1
InChIInChI=1S/C8H12O3/c1-8(2,10)7(9)6-3-4-11-5-6/h5,10H,3-4H2,1-2H3
InChIKeyXWWAPJBOWVQPQC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

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

1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 130579355) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID130579355
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)C1=COCC1
InChIInChI=1S/C8H12O3/c1-8(2,10)7(9)6-3-4-11-5-6/h5,10H,3-4H2,1-2H3
InChIKeyXWWAPJBOWVQPQC-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
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-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one (CID 130579355) is 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is XWWAPJBOWVQPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2,10)7(9)6-3-4-11-5-6/h5,10H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 2 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-2-methylpropan-1-one is sourced from PubChem (CID 130579355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).