1-(3-benzyl-2,4-dimethoxyphenyl)ethanone

C17H18O3 — CID 14523506

IUPAC1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(OC)c1Cc1ccccc1
InChIInChI=1S/C17H18O3/c1-12(18)14-9-10-16(19-2)15(17(14)20-3)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyWFESHXSTYVBLKG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds5

About 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone

1-(3-benzyl-2,4-dimethoxyphenyl)ethanone (PubChem CID 14523506) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
PubChem CID14523506
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(OC)c1Cc1ccccc1
InChIInChI=1S/C17H18O3/c1-12(18)14-9-10-16(19-2)15(17(14)20-3)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyWFESHXSTYVBLKG-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
(6-acetyl-2,3-dimethoxyphenyl) benzoate
CID 118066026
2-(2-benzyl-3-methoxyphenoxy)acetamide
CID 174714930
3,4-dimethoxy-2-[(4-methoxyphenyl)methyl]benzoic acid
CID 11289635
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
CID 18388441
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone (CID 14523506) is 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone is COc1ccc(C(C)=O)c(OC)c1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone?
The InChIKey is WFESHXSTYVBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(18)14-9-10-16(19-2)15(17(14)20-3)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone?
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 14523506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).