6,7-dimethoxy-2,3-dihydroinden-1-one

C11H12O3 — CID 15292475

IUPAC6,7-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1OC)C(=O)CC2
InChIInChI=1S/C11H12O3/c1-13-9-6-4-7-3-5-8(12)10(7)11(9)14-2/h4,6H,3,5H2,1-2H3
InChIKeyUUUDFFGGORMLAR-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.83
Rot. Bonds2

About 6,7-dimethoxy-2,3-dihydroinden-1-one

6,7-dimethoxy-2,3-dihydroinden-1-one (PubChem CID 15292475) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dihydroinden-1-one
PubChem CID15292475
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6,7-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1OC)C(=O)CC2
InChIInChI=1S/C11H12O3/c1-13-9-6-4-7-3-5-8(12)10(7)11(9)14-2/h4,6H,3,5H2,1-2H3
InChIKeyUUUDFFGGORMLAR-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dimethoxy-2,3-dihydroinden-1-one (CID 15292475) is 6,7-dimethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dimethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dimethoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1OC)C(=O)CC2.
What is the InChIKey of 6,7-dimethoxy-2,3-dihydroinden-1-one?
The InChIKey is UUUDFFGGORMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-6-4-7-3-5-8(12)10(7)11(9)14-2/h4,6H,3,5H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,3-dihydroinden-1-one?
6,7-dimethoxy-2,3-dihydroinden-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 15292475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).