(2-iodophenyl)-(3-methylindol-1-yl)methanone

C16H12INO — CID 72942182

IUPAC(2-iodophenyl)-(3-methylindol-1-yl)methanone
SMILESCc1cn(C(=O)c2ccccc2I)c2ccccc12
InChIInChI=1S/C16H12INO/c1-11-10-18(15-9-5-3-6-12(11)15)16(19)13-7-2-4-8-14(13)17/h2-10H,1H3
InChIKeyJVHLCBNMWHUBDX-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.24
Rot. Bonds1

About (2-iodophenyl)-(3-methylindol-1-yl)methanone

(2-iodophenyl)-(3-methylindol-1-yl)methanone (PubChem CID 72942182) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is (2-iodophenyl)-(3-methylindol-1-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(3-methylindol-1-yl)methanone
PubChem CID72942182
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name(2-iodophenyl)-(3-methylindol-1-yl)methanone
SMILESCc1cn(C(=O)c2ccccc2I)c2ccccc12
InChIInChI=1S/C16H12INO/c1-11-10-18(15-9-5-3-6-12(11)15)16(19)13-7-2-4-8-14(13)17/h2-10H,1H3
InChIKeyJVHLCBNMWHUBDX-UHFFFAOYSA-N
XLogP4.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-iodophenyl)-(3-methylindol-1-yl)methanone?
The IUPAC name of (2-iodophenyl)-(3-methylindol-1-yl)methanone (CID 72942182) is (2-iodophenyl)-(3-methylindol-1-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(3-methylindol-1-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(3-methylindol-1-yl)methanone is Cc1cn(C(=O)c2ccccc2I)c2ccccc12.
What is the InChIKey of (2-iodophenyl)-(3-methylindol-1-yl)methanone?
The InChIKey is JVHLCBNMWHUBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c1-11-10-18(15-9-5-3-6-12(11)15)16(19)13-7-2-4-8-14(13)17/h2-10H,1H3.
What are the key properties of (2-iodophenyl)-(3-methylindol-1-yl)methanone?
(2-iodophenyl)-(3-methylindol-1-yl)methanone has a molecular weight of 361.18 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(3-methylindol-1-yl)methanone is sourced from PubChem (CID 72942182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).