5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one

C11H14O2 — CID 13033863

IUPAC5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one
SMILESCOC1=CC2=CCC(=O)C2(C)CC1
InChIInChI=1S/C11H14O2/c1-11-6-5-9(13-2)7-8(11)3-4-10(11)12/h3,7H,4-6H2,1-2H3
InChIKeyPZEHLLYXHRUOSR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one

5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one (PubChem CID 13033863) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one.

Molecular Properties

Compound Name5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one
PubChem CID13033863
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one
SMILESCOC1=CC2=CCC(=O)C2(C)CC1
InChIInChI=1S/C11H14O2/c1-11-6-5-9(13-2)7-8(11)3-4-10(11)12/h3,7H,4-6H2,1-2H3
InChIKeyPZEHLLYXHRUOSR-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one?
The IUPAC name of 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one (CID 13033863) is 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one.
What is the SMILES notation for 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one?
The canonical SMILES for 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one is COC1=CC2=CCC(=O)C2(C)CC1.
What is the InChIKey of 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one?
The InChIKey is PZEHLLYXHRUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11-6-5-9(13-2)7-8(11)3-4-10(11)12/h3,7H,4-6H2,1-2H3.
What are the key properties of 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one?
5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7a-methyl-6,7-dihydro-2H-inden-1-one is sourced from PubChem (CID 13033863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).