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

C14H14O3 — CID 114821159

IUPAC2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCOc1cccc(CC(=O)c2coc(C)c2)c1
InChIInChI=1S/C14H14O3/c1-10-6-12(9-17-10)14(15)8-11-4-3-5-13(7-11)16-2/h3-7,9H,8H2,1-2H3
InChIKeyBNUVLAXUFDZFCZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.02
Rot. Bonds4

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

2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 114821159) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID114821159
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCOc1cccc(CC(=O)c2coc(C)c2)c1
InChIInChI=1S/C14H14O3/c1-10-6-12(9-17-10)14(15)8-11-4-3-5-13(7-11)16-2/h3-7,9H,8H2,1-2H3
InChIKeyBNUVLAXUFDZFCZ-UHFFFAOYSA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 81156989
1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43337811
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone (CID 114821159) is 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone is COc1cccc(CC(=O)c2coc(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is BNUVLAXUFDZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-6-12(9-17-10)14(15)8-11-4-3-5-13(7-11)16-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone?
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone has a molecular weight of 230.26 g/mol, XLogP of 3.02, 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-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 114821159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).