2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone

C16H18O3 — CID 65152945

IUPAC2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H18O3/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8H,9H2,1-4H3
InChIKeyWMGDAHKNDGGDFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.64
Rot. Bonds4

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

2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone (PubChem CID 65152945) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
PubChem CID65152945
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H18O3/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8H,9H2,1-4H3
InChIKeyWMGDAHKNDGGDFM-UHFFFAOYSA-N
XLogP3.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
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
1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 113460846
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone (CID 65152945) is 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone is COc1ccccc1CC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The InChIKey is WMGDAHKNDGGDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-10-11(2)19-12(3)16(10)14(17)9-13-7-5-6-8-15(13)18-4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone is sourced from PubChem (CID 65152945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).