1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone

C20H20O3 — CID 71600610

IUPAC1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)C(C(C)=O)=C2C
InChIInChI=1S/C20H20O3/c1-12-15-10-17(22-3)18(23-4)11-16(15)20(19(12)13(2)21)14-8-6-5-7-9-14/h5-11,20H,1-4H3
InChIKeyZCLHSAZBGDXHNJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.21
Rot. Bonds4

About 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone

1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone (PubChem CID 71600610) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone
PubChem CID71600610
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)C(C(C)=O)=C2C
InChIInChI=1S/C20H20O3/c1-12-15-10-17(22-3)18(23-4)11-16(15)20(19(12)13(2)21)14-8-6-5-7-9-14/h5-11,20H,1-4H3
InChIKeyZCLHSAZBGDXHNJ-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone?
The IUPAC name of 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone (CID 71600610) is 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone is COc1cc2c(cc1OC)C(c1ccccc1)C(C(C)=O)=C2C.
What is the InChIKey of 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone?
The InChIKey is ZCLHSAZBGDXHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-12-15-10-17(22-3)18(23-4)11-16(15)20(19(12)13(2)21)14-8-6-5-7-9-14/h5-11,20H,1-4H3.
What are the key properties of 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone?
1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-3-methyl-1-phenyl-1H-inden-2-yl)ethanone is sourced from PubChem (CID 71600610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).