1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone

C13H11ClO3 — CID 106687666

IUPAC1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C13H11ClO3/c1-16-10-4-2-9(3-5-10)8-12(15)11-6-7-17-13(11)14/h2-7H,8H2,1H3
InChIKeyCLSQKPQDLXJRFG-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone

1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 106687666) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID106687666
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C13H11ClO3/c1-16-10-4-2-9(3-5-10)8-12(15)11-6-7-17-13(11)14/h2-7H,8H2,1H3
InChIKeyCLSQKPQDLXJRFG-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58913540
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone (CID 106687666) is 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccoc2Cl)cc1.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is CLSQKPQDLXJRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-16-10-4-2-9(3-5-10)8-12(15)11-6-7-17-13(11)14/h2-7H,8H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone?
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 250.68 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 106687666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).