1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone

C11H9ClO3 — CID 83891911

IUPAC1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc2occc2c1Cl
InChIInChI=1S/C11H9ClO3/c1-6(13)8-5-9-7(3-4-15-9)10(12)11(8)14-2/h3-5H,1-2H3
InChIKeyKTPLONURMIWMDC-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone

1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone (PubChem CID 83891911) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone
PubChem CID83891911
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc2occc2c1Cl
InChIInChI=1S/C11H9ClO3/c1-6(13)8-5-9-7(3-4-15-9)10(12)11(8)14-2/h3-5H,1-2H3
InChIKeyKTPLONURMIWMDC-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-5-methoxy-1-benzofuran-6-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

Related Compounds

1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
CID 84689437
1-(3-tert-butyl-5-chloro-2-methoxyphenyl)ethanone
CID 117354240
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
methyl 6-phosphanyloxy-1-benzofuran-4-carboxylate
CID 59560185
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022302
3-acetyl-2-methoxy-5-methylcyclohepta-2,4,6-trien-1-one
CID 14948663
4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
CID 623929
2-chloro-3-methoxyterephthalic acid
CID 126601706
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone?
The IUPAC name of 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone (CID 83891911) is 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone?
The canonical SMILES for 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone is COc1c(C(C)=O)cc2occc2c1Cl.
What is the InChIKey of 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone?
The InChIKey is KTPLONURMIWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-6(13)8-5-9-7(3-4-15-9)10(12)11(8)14-2/h3-5H,1-2H3.
What are the key properties of 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone?
1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone has a molecular weight of 224.64 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methoxy-1-benzofuran-6-yl)ethanone is sourced from PubChem (CID 83891911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).