5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one

C17H16O3 — CID 2810159

IUPAC5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O3/c1-19-16-9-13-12(11-6-4-3-5-7-11)8-15(18)14(13)10-17(16)20-2/h3-7,9-10,12H,8H2,1-2H3
InChIKeyLSNAIAZDYNHRCT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.42
Rot. Bonds3

About 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one

5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one (PubChem CID 2810159) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
PubChem CID2810159
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O3/c1-19-16-9-13-12(11-6-4-3-5-7-11)8-15(18)14(13)10-17(16)20-2/h3-7,9-10,12H,8H2,1-2H3
InChIKeyLSNAIAZDYNHRCT-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one (CID 2810159) is 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(c1ccccc1)CC2=O.
What is the InChIKey of 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one?
The InChIKey is LSNAIAZDYNHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-9-13-12(11-6-4-3-5-7-11)8-15(18)14(13)10-17(16)20-2/h3-7,9-10,12H,8H2,1-2H3.
What are the key properties of 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one?
5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 2810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).