6-bromo-3,3-diethyl-1H-inden-2-one

C13H15BrO — CID 58375843

IUPAC6-bromo-3,3-diethyl-1H-inden-2-one
SMILESCCC1(CC)C(=O)Cc2cc(Br)ccc21
InChIInChI=1S/C13H15BrO/c1-3-13(4-2)11-6-5-10(14)7-9(11)8-12(13)15/h5-7H,3-4,8H2,1-2H3
InChIKeyHAASMZSJAHNQAY-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.63
Rot. Bonds2

About 6-bromo-3,3-diethyl-1H-inden-2-one

6-bromo-3,3-diethyl-1H-inden-2-one (PubChem CID 58375843) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-bromo-3,3-diethyl-1H-inden-2-one.

Molecular Properties

Compound Name6-bromo-3,3-diethyl-1H-inden-2-one
PubChem CID58375843
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name6-bromo-3,3-diethyl-1H-inden-2-one
SMILESCCC1(CC)C(=O)Cc2cc(Br)ccc21
InChIInChI=1S/C13H15BrO/c1-3-13(4-2)11-6-5-10(14)7-9(11)8-12(13)15/h5-7H,3-4,8H2,1-2H3
InChIKeyHAASMZSJAHNQAY-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3,3-diethyl-1H-inden-2-one 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 6-bromo-3,3-diethyl-1H-inden-2-one?
The IUPAC name of 6-bromo-3,3-diethyl-1H-inden-2-one (CID 58375843) is 6-bromo-3,3-diethyl-1H-inden-2-one.
What is the SMILES notation for 6-bromo-3,3-diethyl-1H-inden-2-one?
The canonical SMILES for 6-bromo-3,3-diethyl-1H-inden-2-one is CCC1(CC)C(=O)Cc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3,3-diethyl-1H-inden-2-one?
The InChIKey is HAASMZSJAHNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-3-13(4-2)11-6-5-10(14)7-9(11)8-12(13)15/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 6-bromo-3,3-diethyl-1H-inden-2-one?
6-bromo-3,3-diethyl-1H-inden-2-one has a molecular weight of 267.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-diethyl-1H-inden-2-one is sourced from PubChem (CID 58375843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).