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

C13H11IO2 — CID 104799652

IUPAC2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H11IO2/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyAYPMSVBLTXGPDH-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.62
Rot. Bonds3

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

2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone (PubChem CID 104799652) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
PubChem CID104799652
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Name2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H11IO2/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyAYPMSVBLTXGPDH-UHFFFAOYSA-N
XLogP3.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.62
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

2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
CID 61054256
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
1-(3-bromofuran-2-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63943802
2-(1-methyl-2,3-dihydro-1-benzoborol-6-yl)-1-(3-methylfuran-2-yl)ethanone
CID 58404267
3-methylfuran-2-carbonyl iodide
CID 143843611
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 105373368
2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
CID 104799482
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
3-methyl-1-(3-methylfuran-2-yl)pentan-1-one
CID 104799488

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone (CID 104799652) is 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone is Cc1ccoc1C(=O)Cc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone?
The InChIKey is AYPMSVBLTXGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone?
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone has a molecular weight of 326.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone is sourced from PubChem (CID 104799652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).