1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone

C16H18O2 — CID 165037086

IUPAC1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccoc2C)cc(C)c1C
InChIInChI=1S/C16H18O2/c1-10-7-14(8-11(2)12(10)3)9-16(17)15-5-6-18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyXRKGNBOUCVIHOS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone

1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone (PubChem CID 165037086) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
PubChem CID165037086
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccoc2C)cc(C)c1C
InChIInChI=1S/C16H18O2/c1-10-7-14(8-11(2)12(10)3)9-16(17)15-5-6-18-13(15)4/h5-8H,9H2,1-4H3
InChIKeyXRKGNBOUCVIHOS-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-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
CID 113453266
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 131219610
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
ethyl 2-[5-methyl-4-[2-(3,4,5-trimethylphenyl)acetyl]furan-2-yl]-2-oxoacetate
CID 165037088
2-(1H-imidazol-2-yl)-1-(2-methylfuran-3-yl)ethanone
CID 43463678
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616
1-(2-methylfuran-3-yl)pent-3-yn-1-one
CID 104789229

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone?
The IUPAC name of 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone (CID 165037086) is 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone is Cc1cc(CC(=O)c2ccoc2C)cc(C)c1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone?
The InChIKey is XRKGNBOUCVIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-7-14(8-11(2)12(10)3)9-16(17)15-5-6-18-13(15)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone?
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)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-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 165037086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).