1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone

C13H12O3 — CID 61055091

IUPAC1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccoc2)cc1
InChIInChI=1S/C13H12O3/c1-15-12-4-2-10(3-5-12)8-13(14)11-6-7-16-9-11/h2-7,9H,8H2,1H3
InChIKeyBJQOSKLVOSLCRQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.71
Rot. Bonds4

About 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone

1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 61055091) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID61055091
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccoc2)cc1
InChIInChI=1S/C13H12O3/c1-15-12-4-2-10(3-5-12)8-13(14)11-6-7-16-9-11/h2-7,9H,8H2,1H3
InChIKeyBJQOSKLVOSLCRQ-UHFFFAOYSA-N
XLogP2.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone (CID 61055091) is 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is BJQOSKLVOSLCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-12-4-2-10(3-5-12)8-13(14)11-6-7-16-9-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone?
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 61055091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).