1-(2,6-dimethoxyphenyl)ethanone

C10H12O3 — CID 16267

IUPAC1-(2,6-dimethoxyphenyl)ethanone
SMILESCOc1cccc(OC)c1C(C)=O
InChIInChI=1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
InChIKeyXEUGKOFTNAYMMX-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.91
Rot. Bonds3

About 1-(2,6-dimethoxyphenyl)ethanone

1-(2,6-dimethoxyphenyl)ethanone (PubChem CID 16267) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)ethanone
PubChem CID16267
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(2,6-dimethoxyphenyl)ethanone
SMILESCOc1cccc(OC)c1C(C)=O
InChIInChI=1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
InChIKeyXEUGKOFTNAYMMX-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethoxyphenyl)ethanone (CID 16267) is 1-(2,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)ethanone is COc1cccc(OC)c1C(C)=O.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)ethanone?
The InChIKey is XEUGKOFTNAYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)ethanone?
1-(2,6-dimethoxyphenyl)ethanone has a molecular weight of 180.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 16267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).