1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

C17H18O4 — CID 641829

IUPAC1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-19-14-6-4-12(5-7-14)8-17(18)13-9-15(20-2)11-16(10-13)21-3/h4-7,9-11H,8H2,1-3H3
InChIKeyWCTACBGBGLJCMD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 641829) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID641829
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-19-14-6-4-12(5-7-14)8-17(18)13-9-15(20-2)11-16(10-13)21-3/h4-7,9-11H,8H2,1-3H3
InChIKeyWCTACBGBGLJCMD-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

1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone (CID 641829) is 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is WCTACBGBGLJCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-6-4-12(5-7-14)8-17(18)13-9-15(20-2)11-16(10-13)21-3/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone?
1-(3,5-dimethoxyphenyl)-2-(4-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-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 641829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).