5-methoxy-2,2-dimethyl-3H-inden-1-one

C12H14O2 — CID 10330158

IUPAC5-methoxy-2,2-dimethyl-3H-inden-1-one
SMILESCOc1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C12H14O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-6H,7H2,1-3H3
InChIKeyZENPNFPJVPODJW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.46
Rot. Bonds1

About 5-methoxy-2,2-dimethyl-3H-inden-1-one

5-methoxy-2,2-dimethyl-3H-inden-1-one (PubChem CID 10330158) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-3H-inden-1-one.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-3H-inden-1-one
PubChem CID10330158
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-methoxy-2,2-dimethyl-3H-inden-1-one
SMILESCOc1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C12H14O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-6H,7H2,1-3H3
InChIKeyZENPNFPJVPODJW-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-3H-inden-1-one?
The IUPAC name of 5-methoxy-2,2-dimethyl-3H-inden-1-one (CID 10330158) is 5-methoxy-2,2-dimethyl-3H-inden-1-one.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-3H-inden-1-one?
The canonical SMILES for 5-methoxy-2,2-dimethyl-3H-inden-1-one is COc1ccc2c(c1)CC(C)(C)C2=O.
What is the InChIKey of 5-methoxy-2,2-dimethyl-3H-inden-1-one?
The InChIKey is ZENPNFPJVPODJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-6H,7H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-3H-inden-1-one?
5-methoxy-2,2-dimethyl-3H-inden-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-3H-inden-1-one is sourced from PubChem (CID 10330158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).