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

C12H8ClIO2 — CID 106691035

IUPAC1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccoc1Cl
InChIInChI=1S/C12H8ClIO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyUNKRPCZDDCPPQA-UHFFFAOYSA-N
MW346.55 g/mol
LogP3.96
Rot. Bonds3

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

1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone (PubChem CID 106691035) has the molecular formula C12H8ClIO2 and a molecular weight of 346.55 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
PubChem CID106691035
Molecular FormulaC12H8ClIO2
Molecular Weight346.55 g/mol
Exact Mass345.93
IUPAC Name1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccoc1Cl
InChIInChI=1S/C12H8ClIO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyUNKRPCZDDCPPQA-UHFFFAOYSA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106687670
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(2-chlorofuran-3-yl)-2-(furan-3-yl)ethanone
CID 106691241
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
CID 130917911
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanone
CID 106687680
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone (CID 106691035) is 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone is O=C(Cc1ccc(I)cc1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone?
The InChIKey is UNKRPCZDDCPPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone?
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone has a molecular weight of 346.55 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 106691035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).