1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone

C14H14O3 — CID 10443838

IUPAC1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)c(C)o1
InChIInChI=1S/C14H14O3/c1-9(15)12-8-14(17-10(12)2)11-6-4-5-7-13(11)16-3/h4-8H,1-3H3
InChIKeyAIAJKTZCNMXBTK-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.47
Rot. Bonds3

About 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone

1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone (PubChem CID 10443838) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone
PubChem CID10443838
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)c(C)o1
InChIInChI=1S/C14H14O3/c1-9(15)12-8-14(17-10(12)2)11-6-4-5-7-13(11)16-3/h4-8H,1-3H3
InChIKeyAIAJKTZCNMXBTK-UHFFFAOYSA-N
XLogP3.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methoxyphenyl)-2-methylfuran-3-yl]methanol
CID 68515517
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
CID 175186064
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
CID 4237243
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
1-[2-(2-methoxyphenyl)-1,3-oxazol-5-yl]ethanone
CID 115087217
2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde
CID 135071312
1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
CID 118330428

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone (CID 10443838) is 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone is COc1ccccc1-c1cc(C(C)=O)c(C)o1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone?
The InChIKey is AIAJKTZCNMXBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(15)12-8-14(17-10(12)2)11-6-4-5-7-13(11)16-3/h4-8H,1-3H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone?
1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone has a molecular weight of 230.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 10443838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).