1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

C12H12O3 — CID 11820228

IUPAC1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde
SMILESCOC1CC(=O)c2c(C=O)cc(C)cc21
InChIInChI=1S/C12H12O3/c1-7-3-8(6-13)12-9(4-7)11(15-2)5-10(12)14/h3-4,6,11H,5H2,1-2H3
InChIKeyVNNRAAJVRAAXSH-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.08
Rot. Bonds2

About 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde

1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde (PubChem CID 11820228) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde
PubChem CID11820228
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde
SMILESCOC1CC(=O)c2c(C=O)cc(C)cc21
InChIInChI=1S/C12H12O3/c1-7-3-8(6-13)12-9(4-7)11(15-2)5-10(12)14/h3-4,6,11H,5H2,1-2H3
InChIKeyVNNRAAJVRAAXSH-UHFFFAOYSA-N
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde?
The IUPAC name of 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde (CID 11820228) is 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde.
What is the SMILES notation for 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde?
The canonical SMILES for 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde is COC1CC(=O)c2c(C=O)cc(C)cc21.
What is the InChIKey of 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde?
The InChIKey is VNNRAAJVRAAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-3-8(6-13)12-9(4-7)11(15-2)5-10(12)14/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde?
1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde has a molecular weight of 204.22 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 1-methoxy-6-methyl-3-oxo-1,2-dihydroindene-4-carbaldehyde is sourced from PubChem (CID 11820228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).