6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one

C11H14O2 — CID 13427083

IUPAC6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one
SMILESCOC1(C)C=C2CCCC2=CC1=O
InChIInChI=1S/C11H14O2/c1-11(13-2)7-9-5-3-4-8(9)6-10(11)12/h6-7H,3-5H2,1-2H3
InChIKeyGEDWNQMCZBLWTB-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds1

About 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one

6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one (PubChem CID 13427083) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one.

Molecular Properties

Compound Name6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one
PubChem CID13427083
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one
SMILESCOC1(C)C=C2CCCC2=CC1=O
InChIInChI=1S/C11H14O2/c1-11(13-2)7-9-5-3-4-8(9)6-10(11)12/h6-7H,3-5H2,1-2H3
InChIKeyGEDWNQMCZBLWTB-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one?
The IUPAC name of 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one (CID 13427083) is 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one.
What is the SMILES notation for 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one?
The canonical SMILES for 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one is COC1(C)C=C2CCCC2=CC1=O.
What is the InChIKey of 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one?
The InChIKey is GEDWNQMCZBLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(13-2)7-9-5-3-4-8(9)6-10(11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one?
6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-2,3-dihydro-1H-inden-5-one is sourced from PubChem (CID 13427083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).