1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone

C22H16INO — CID 146509223

IUPAC1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)c2ccccc21)c1ccccc1I
InChIInChI=1S/C22H16INO/c23-20-12-6-4-11-18(20)22(25)15-24-14-19(16-8-2-1-3-9-16)17-10-5-7-13-21(17)24/h1-14H,15H2
InChIKeyVGLHQXFZCHPPLY-UHFFFAOYSA-N
MW437.28 g/mol
LogP5.80
Rot. Bonds4

About 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone

1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone (PubChem CID 146509223) has the molecular formula C22H16INO and a molecular weight of 437.28 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone
PubChem CID146509223
Molecular FormulaC22H16INO
Molecular Weight437.28 g/mol
Exact Mass437.03
IUPAC Name1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)c2ccccc21)c1ccccc1I
InChIInChI=1S/C22H16INO/c23-20-12-6-4-11-18(20)22(25)15-24-14-19(16-8-2-1-3-9-16)17-10-5-7-13-21(17)24/h1-14H,15H2
InChIKeyVGLHQXFZCHPPLY-UHFFFAOYSA-N
XLogP5.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 55.80
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-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone
CID 118535572
1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
CID 63568121
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
CID 91261190
ethyl 3-phenylindole-1-carboxylate
CID 69433290
(2-iodophenyl)-(4-phenylphenyl)methanone
CID 43337741
2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
CID 13180338
(2-iodophenyl)-(3-methylindol-1-yl)methanone
CID 72942182

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone?
The IUPAC name of 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone (CID 146509223) is 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone?
The canonical SMILES for 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone is O=C(Cn1cc(-c2ccccc2)c2ccccc21)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone?
The InChIKey is VGLHQXFZCHPPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16INO/c23-20-12-6-4-11-18(20)22(25)15-24-14-19(16-8-2-1-3-9-16)17-10-5-7-13-21(17)24/h1-14H,15H2.
What are the key properties of 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone?
1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone has a molecular weight of 437.28 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone is sourced from PubChem (CID 146509223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).