6-methoxy-2,3-dimethylinden-1-one

C12H12O2 — CID 71441575

IUPAC6-methoxy-2,3-dimethylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C)=C2C
InChIInChI=1S/C12H12O2/c1-7-8(2)12(13)11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
InChIKeyIBBIHYJOCOEFLE-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.68
Rot. Bonds1

About 6-methoxy-2,3-dimethylinden-1-one

6-methoxy-2,3-dimethylinden-1-one (PubChem CID 71441575) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methoxy-2,3-dimethylinden-1-one.

Molecular Properties

Compound Name6-methoxy-2,3-dimethylinden-1-one
PubChem CID71441575
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6-methoxy-2,3-dimethylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C)=C2C
InChIInChI=1S/C12H12O2/c1-7-8(2)12(13)11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3
InChIKeyIBBIHYJOCOEFLE-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.68
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 6-methoxy-2,3-dimethylinden-1-one?
The IUPAC name of 6-methoxy-2,3-dimethylinden-1-one (CID 71441575) is 6-methoxy-2,3-dimethylinden-1-one.
What is the SMILES notation for 6-methoxy-2,3-dimethylinden-1-one?
The canonical SMILES for 6-methoxy-2,3-dimethylinden-1-one is COc1ccc2c(c1)C(=O)C(C)=C2C.
What is the InChIKey of 6-methoxy-2,3-dimethylinden-1-one?
The InChIKey is IBBIHYJOCOEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-7-8(2)12(13)11-6-9(14-3)4-5-10(7)11/h4-6H,1-3H3.
What are the key properties of 6-methoxy-2,3-dimethylinden-1-one?
6-methoxy-2,3-dimethylinden-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dimethylinden-1-one is sourced from PubChem (CID 71441575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).