1-(2-methoxy-4,5-dimethylphenyl)ethanone

C11H14O2 — CID 821101

IUPAC1-(2-methoxy-4,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)cc1C(C)=O
InChIInChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3
InChIKeyOSBUMVWTNSHAAG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.51
Rot. Bonds2

About 1-(2-methoxy-4,5-dimethylphenyl)ethanone

1-(2-methoxy-4,5-dimethylphenyl)ethanone (PubChem CID 821101) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)ethanone
PubChem CID821101
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)cc1C(C)=O
InChIInChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3
InChIKeyOSBUMVWTNSHAAG-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)ethanone (CID 821101) is 1-(2-methoxy-4,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)ethanone is COc1cc(C)c(C)cc1C(C)=O.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The InChIKey is OSBUMVWTNSHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)ethanone?
1-(2-methoxy-4,5-dimethylphenyl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)ethanone is sourced from PubChem (CID 821101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).