1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone

C16H14INO2 — CID 1242466

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
SMILESO=C(COc1ccc(I)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14INO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyKSTHOIKHLRFHLE-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.26
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone (PubChem CID 1242466) has the molecular formula C16H14INO2 and a molecular weight of 379.20 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
PubChem CID1242466
Molecular FormulaC16H14INO2
Molecular Weight379.20 g/mol
Exact Mass379.01
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
SMILESO=C(COc1ccc(I)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14INO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyKSTHOIKHLRFHLE-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.26
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-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
CID 17446546
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
CID 2348110
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone (CID 1242466) is 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone is O=C(COc1ccc(I)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone?
The InChIKey is KSTHOIKHLRFHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone has a molecular weight of 379.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone is sourced from PubChem (CID 1242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).