2,4-dimethyl-2,3-dihydroinden-1-one

C11H12O — CID 14997889

IUPAC2,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1CC(C)C2=O
InChIInChI=1S/C11H12O/c1-7-4-3-5-9-10(7)6-8(2)11(9)12/h3-5,8H,6H2,1-2H3
InChIKeyZDCQKZOFWPDZHL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.37
Rot. Bonds

About 2,4-dimethyl-2,3-dihydroinden-1-one

2,4-dimethyl-2,3-dihydroinden-1-one (PubChem CID 14997889) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydroinden-1-one
PubChem CID14997889
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2,4-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cccc2c1CC(C)C2=O
InChIInChI=1S/C11H12O/c1-7-4-3-5-9-10(7)6-8(2)11(9)12/h3-5,8H,6H2,1-2H3
InChIKeyZDCQKZOFWPDZHL-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-2,3-dihydroinden-1-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 2,4-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 2,4-dimethyl-2,3-dihydroinden-1-one (CID 14997889) is 2,4-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2,4-dimethyl-2,3-dihydroinden-1-one is Cc1cccc2c1CC(C)C2=O.
What is the InChIKey of 2,4-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is ZDCQKZOFWPDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-7-4-3-5-9-10(7)6-8(2)11(9)12/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydroinden-1-one?
2,4-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 14997889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).