1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone

C16H18O2 — CID 115792625

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(C)cccc2C)c(C)o1
InChIInChI=1S/C16H18O2/c1-10-6-5-7-11(2)14(10)9-16(17)15-8-12(3)18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyHHPDEXWSRXBERI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone

1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 115792625) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID115792625
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(C)cccc2C)c(C)o1
InChIInChI=1S/C16H18O2/c1-10-6-5-7-11(2)14(10)9-16(17)15-8-12(3)18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyHHPDEXWSRXBERI-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812715
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800291
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 43321253

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone (CID 115792625) is 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone is Cc1cc(C(=O)Cc2c(C)cccc2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is HHPDEXWSRXBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-6-5-7-11(2)14(10)9-16(17)15-8-12(3)18-13(15)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 115792625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).