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

C12H14O3 — CID 605781

IUPAC5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(C)CC2=O
InChIInChI=1S/C12H14O3/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7H,4H2,1-3H3
InChIKeySOCFELMKQMPCFC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.39
Rot. Bonds2

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

5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one (PubChem CID 605781) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
PubChem CID605781
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(C)CC2=O
InChIInChI=1S/C12H14O3/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7H,4H2,1-3H3
InChIKeySOCFELMKQMPCFC-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.39
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-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one (CID 605781) is 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(C)CC2=O.
What is the InChIKey of 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is SOCFELMKQMPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7H,4H2,1-3H3.
What are the key properties of 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one?
5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 605781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).