2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one

C17H16O — CID 22173335

IUPAC2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2
InChIInChI=1S/C17H16O/c1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3
InChIKeyAPPGBWSUAREXNV-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.04
Rot. Bonds1

About 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one

2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one (PubChem CID 22173335) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one
PubChem CID22173335
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2
InChIInChI=1S/C17H16O/c1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3
InChIKeyAPPGBWSUAREXNV-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-7-phenyl-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 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one (CID 22173335) is 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one is Cc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2.
What is the InChIKey of 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one?
The InChIKey is APPGBWSUAREXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3.
What are the key properties of 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one?
2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).