1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone

C18H20O3 — CID 115792599

IUPAC1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C18H20O3/c1-12-6-5-7-13(2)15(12)11-17(19)16-10-14(20-3)8-9-18(16)21-4/h5-10H,11H2,1-4H3
InChIKeyFBECYBGFJBJUDH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone

1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 115792599) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID115792599
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C18H20O3/c1-12-6-5-7-13(2)15(12)11-17(19)16-10-14(20-3)8-9-18(16)21-4/h5-10H,11H2,1-4H3
InChIKeyFBECYBGFJBJUDH-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
CID 116832795

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone (CID 115792599) is 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone is COc1ccc(OC)c(C(=O)Cc2c(C)cccc2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is FBECYBGFJBJUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-6-5-7-13(2)15(12)11-17(19)16-10-14(20-3)8-9-18(16)21-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 115792599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).