1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone

C17H18O4 — CID 61080267

IUPAC1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H18O4/c1-19-14-8-5-4-7-12(14)11-13(18)17-15(20-2)9-6-10-16(17)21-3/h4-10H,11H2,1-3H3
InChIKeyGCPBGCVPXAHGEP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone

1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone (PubChem CID 61080267) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
PubChem CID61080267
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H18O4/c1-19-14-8-5-4-7-12(14)11-13(18)17-15(20-2)9-6-10-16(17)21-3/h4-10H,11H2,1-3H3
InChIKeyGCPBGCVPXAHGEP-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152945
2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349407
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116809971

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone (CID 61080267) is 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is GCPBGCVPXAHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-8-5-4-7-12(14)11-13(18)17-15(20-2)9-6-10-16(17)21-3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone?
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 61080267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).