1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone

C11H10O3 — CID 71361943

IUPAC1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone
SMILESCC(=O)c1c(O)ccc2c(C)coc12
InChIInChI=1S/C11H10O3/c1-6-5-14-11-8(6)3-4-9(13)10(11)7(2)12/h3-5,13H,1-2H3
InChIKeyLDFAFOGEMOPKSN-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.65
Rot. Bonds1

About 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone

1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone (PubChem CID 71361943) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone
PubChem CID71361943
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone
SMILESCC(=O)c1c(O)ccc2c(C)coc12
InChIInChI=1S/C11H10O3/c1-6-5-14-11-8(6)3-4-9(13)10(11)7(2)12/h3-5,13H,1-2H3
InChIKeyLDFAFOGEMOPKSN-UHFFFAOYSA-N
XLogP2.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone 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 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone (CID 71361943) is 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone is CC(=O)c1c(O)ccc2c(C)coc12.
What is the InChIKey of 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone?
The InChIKey is LDFAFOGEMOPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-5-14-11-8(6)3-4-9(13)10(11)7(2)12/h3-5,13H,1-2H3.
What are the key properties of 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone?
1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 71361943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).