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

C9H14O3 — CID 130579357

IUPAC1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)C1=COCC1
InChIInChI=1S/C9H14O3/c1-3-9(2,11)8(10)7-4-5-12-6-7/h6,11H,3-5H2,1-2H3
InChIKeyQPYMSJIWRRRFJF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds3

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

1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one (PubChem CID 130579357) 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-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one
PubChem CID130579357
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)C1=COCC1
InChIInChI=1S/C9H14O3/c1-3-9(2,11)8(10)7-4-5-12-6-7/h6,11H,3-5H2,1-2H3
InChIKeyQPYMSJIWRRRFJF-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydrofuran-4-yl-(1-methoxycyclobutyl)methanone
CID 130579338
1-(2,3-Dihydrofuran-4-yl)-2-hydroxy-2-methylpropan-1-one
CID 130579355
2,3-Dihydrofuran-4-yl-(1-hydroxycyclohexyl)methanone
CID 130579361
1-(2,3-Dihydrofuran-4-yl)-2-hydroxybutan-1-one
CID 130579368
1-(2,3-Dihydrofuran-4-yl)-2-hydroxy-3-methylbutan-1-one
CID 130579372

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one (CID 130579357) is 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one is CCC(C)(O)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one?
The InChIKey is QPYMSJIWRRRFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(2,11)8(10)7-4-5-12-6-7/h6,11H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-hydroxy-2-methylbutan-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.02, 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-2-methylbutan-1-one is sourced from PubChem (CID 130579357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).