1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone

C16H13IO2 — CID 114974112

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13IO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyHVVAICADWIBNNM-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.75
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone (PubChem CID 114974112) has the molecular formula C16H13IO2 and a molecular weight of 364.18 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
PubChem CID114974112
Molecular FormulaC16H13IO2
Molecular Weight364.18 g/mol
Exact Mass364.00
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13IO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyHVVAICADWIBNNM-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.75
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-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979375
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone (CID 114974112) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone is O=C(Cc1ccc(I)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone?
The InChIKey is HVVAICADWIBNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IO2/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone has a molecular weight of 364.18 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 114974112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).