2-iodo-1-methyl-3-phenylindole

C15H12IN — CID 76846489

IUPAC2-iodo-1-methyl-3-phenylindole
SMILESCn1c(I)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12IN/c1-17-13-10-6-5-9-12(13)14(15(17)16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyADMYKACDIBYQOB-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.45
Rot. Bonds1

About 2-iodo-1-methyl-3-phenylindole

2-iodo-1-methyl-3-phenylindole (PubChem CID 76846489) has the molecular formula C15H12IN and a molecular weight of 333.17 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-phenylindole.

Molecular Properties

Compound Name2-iodo-1-methyl-3-phenylindole
PubChem CID76846489
Molecular FormulaC15H12IN
Molecular Weight333.17 g/mol
Exact Mass333.00
IUPAC Name2-iodo-1-methyl-3-phenylindole
SMILESCn1c(I)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12IN/c1-17-13-10-6-5-9-12(13)14(15(17)16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyADMYKACDIBYQOB-UHFFFAOYSA-N
XLogP4.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3-phenylindole?
The IUPAC name of 2-iodo-1-methyl-3-phenylindole (CID 76846489) is 2-iodo-1-methyl-3-phenylindole.
What is the SMILES notation for 2-iodo-1-methyl-3-phenylindole?
The canonical SMILES for 2-iodo-1-methyl-3-phenylindole is Cn1c(I)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-iodo-1-methyl-3-phenylindole?
The InChIKey is ADMYKACDIBYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN/c1-17-13-10-6-5-9-12(13)14(15(17)16)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 2-iodo-1-methyl-3-phenylindole?
2-iodo-1-methyl-3-phenylindole has a molecular weight of 333.17 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-3-phenylindole is sourced from PubChem (CID 76846489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).