7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one

C11H14O3 — CID 102184538

IUPAC7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCCCc1coc2c1C(=O)CCC2O
InChIInChI=1S/C11H14O3/c1-2-3-7-6-14-11-9(13)5-4-8(12)10(7)11/h6,9,13H,2-5H2,1H3
InChIKeyYCTMFCQGOXUVDR-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.24
Rot. Bonds2

About 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one

7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 102184538) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID102184538
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCCCc1coc2c1C(=O)CCC2O
InChIInChI=1S/C11H14O3/c1-2-3-7-6-14-11-9(13)5-4-8(12)10(7)11/h6,9,13H,2-5H2,1H3
InChIKeyYCTMFCQGOXUVDR-UHFFFAOYSA-N
XLogP2.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 102184538) is 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one is CCCc1coc2c1C(=O)CCC2O.
What is the InChIKey of 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is YCTMFCQGOXUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-7-6-14-11-9(13)5-4-8(12)10(7)11/h6,9,13H,2-5H2,1H3.
What are the key properties of 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one?
7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-propyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 102184538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).