4-methoxy-7-methyl-2,3-dihydroinden-1-one

C11H12O2 — CID 600490

IUPAC4-methoxy-7-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(C)c2c1CCC2=O
InChIInChI=1S/C11H12O2/c1-7-3-6-10(13-2)8-4-5-9(12)11(7)8/h3,6H,4-5H2,1-2H3
InChIKeyHXWRAKVKUJOULM-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds1

About 4-methoxy-7-methyl-2,3-dihydroinden-1-one

4-methoxy-7-methyl-2,3-dihydroinden-1-one (PubChem CID 600490) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-2,3-dihydroinden-1-one
PubChem CID600490
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-methoxy-7-methyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(C)c2c1CCC2=O
InChIInChI=1S/C11H12O2/c1-7-3-6-10(13-2)8-4-5-9(12)11(7)8/h3,6H,4-5H2,1-2H3
InChIKeyHXWRAKVKUJOULM-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-methoxy-7-methyl-2,3-dihydroinden-1-one (CID 600490) is 4-methoxy-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methoxy-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methoxy-7-methyl-2,3-dihydroinden-1-one is COc1ccc(C)c2c1CCC2=O.
What is the InChIKey of 4-methoxy-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is HXWRAKVKUJOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-3-6-10(13-2)8-4-5-9(12)11(7)8/h3,6H,4-5H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-2,3-dihydroinden-1-one?
4-methoxy-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 600490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).