2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C18H16O3 — CID 114725058

IUPAC2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cc3cccc(C)c3o2)c1
InChIInChI=1S/C18H16O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11H,10H2,1-2H3
InChIKeyMFLHYVKJEMVGKV-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.18
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114725058) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114725058
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cc3cccc(C)c3o2)c1
InChIInChI=1S/C18H16O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11H,10H2,1-2H3
InChIKeyMFLHYVKJEMVGKV-UHFFFAOYSA-N
XLogP4.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 81156989
2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114725058) is 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is COc1cccc(CC(=O)c2cc3cccc(C)c3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is MFLHYVKJEMVGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12-5-3-7-14-11-17(21-18(12)14)16(19)10-13-6-4-8-15(9-13)20-2/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 280.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114725058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).