2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone

C13H15BrO — CID 11010958

IUPAC2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
SMILESCCC1(C(=O)CBr)Cc2ccccc2C1
InChIInChI=1S/C13H15BrO/c1-2-13(12(15)9-14)7-10-5-3-4-6-11(10)8-13/h3-6H,2,7-9H2,1H3
InChIKeyDGNMOQRBEPHCQU-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.15
Rot. Bonds3

About 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone

2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone (PubChem CID 11010958) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
PubChem CID11010958
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
SMILESCCC1(C(=O)CBr)Cc2ccccc2C1
InChIInChI=1S/C13H15BrO/c1-2-13(12(15)9-14)7-10-5-3-4-6-11(10)8-13/h3-6H,2,7-9H2,1H3
InChIKeyDGNMOQRBEPHCQU-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone (CID 11010958) is 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone is CCC1(C(=O)CBr)Cc2ccccc2C1.
What is the InChIKey of 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone?
The InChIKey is DGNMOQRBEPHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-2-13(12(15)9-14)7-10-5-3-4-6-11(10)8-13/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone?
2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone has a molecular weight of 267.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone is sourced from PubChem (CID 11010958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).