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

C12H14O3 — CID 10878304

IUPAC5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(C)C2
InChIInChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
InChIKeyDRWBHZSJKUMHGN-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds2

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

5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 10878304) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID10878304
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(C)C2
InChIInChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
InChIKeyDRWBHZSJKUMHGN-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethoxy-2-methyl-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

Related Compounds

Acetovanillone
CID 2214
Anisindione
CID 2197
Veratraldehyde
CID 8419
Propiovanillone
CID 15782
1-Propanone, 1-(3,4-dimethoxyphenyl)-
CID 15781
3,4-Dimethoxyphenyl methyl ketone
CID 14328
5,6-Dimethoxy-1-indanone
CID 75018
5-Propanoyl-1,3-benzodioxole
CID 95682
Acetopiperone
CID 76622
Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-
CID 3038641
2-Propanone, 1-(3,4-dimethoxyphenyl)-
CID 69896
Desbenzyl donepezil
CID 10446897

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one (CID 10878304) is 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(=O)C(C)C2.
What is the InChIKey of 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is DRWBHZSJKUMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3.
What are the key properties of 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one?
5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 10878304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).