1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone

C12H16O2 — CID 166703523

IUPAC1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone
SMILESCOC1CC2=C(C=C1C(C)=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(13)11-6-9-4-3-5-10(9)7-12(11)14-2/h6,12H,3-5,7H2,1-2H3
InChIKeyIPXCGGALQZIUPF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.40
Rot. Bonds2

About 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone

1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone (PubChem CID 166703523) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone
PubChem CID166703523
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone
SMILESCOC1CC2=C(C=C1C(C)=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(13)11-6-9-4-3-5-10(9)7-12(11)14-2/h6,12H,3-5,7H2,1-2H3
InChIKeyIPXCGGALQZIUPF-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone (CID 166703523) is 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone is COC1CC2=C(C=C1C(C)=O)CCC2.
What is the InChIKey of 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone?
The InChIKey is IPXCGGALQZIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(13)11-6-9-4-3-5-10(9)7-12(11)14-2/h6,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone?
1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3,6,7-tetrahydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 166703523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).