1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone

C12H16O3 — CID 117297608

IUPAC1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)c(C(C)=O)c1OC
InChIInChI=1S/C12H16O3/c1-7-6-10(14-4)12(15-5)11(8(7)2)9(3)13/h6H,1-5H3
InChIKeyNMADAOHBHBUJMM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.52
Rot. Bonds3

About 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone

1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone (PubChem CID 117297608) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
PubChem CID117297608
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)c(C(C)=O)c1OC
InChIInChI=1S/C12H16O3/c1-7-6-10(14-4)12(15-5)11(8(7)2)9(3)13/h6H,1-5H3
InChIKeyNMADAOHBHBUJMM-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
2,6-dimethoxy-3,4-dimethylbenzamide
CID 175082400
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone (CID 117297608) is 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone is COc1cc(C)c(C)c(C(C)=O)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone?
The InChIKey is NMADAOHBHBUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-6-10(14-4)12(15-5)11(8(7)2)9(3)13/h6H,1-5H3.
What are the key properties of 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone?
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone is sourced from PubChem (CID 117297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).