6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one

C17H16O3 — CID 63097467

IUPAC6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
SMILESCCc1ccc(COc2ccc3c(c2)OCC3=O)cc1
InChIInChI=1S/C17H16O3/c1-2-12-3-5-13(6-4-12)10-19-14-7-8-15-16(18)11-20-17(15)9-14/h3-9H,2,10-11H2,1H3
InChIKeyTUCNHPOCYRTIET-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.40
Rot. Bonds4

About 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one

6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 63097467) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
PubChem CID63097467
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
SMILESCCc1ccc(COc2ccc3c(c2)OCC3=O)cc1
InChIInChI=1S/C17H16O3/c1-2-12-3-5-13(6-4-12)10-19-14-7-8-15-16(18)11-20-17(15)9-14/h3-9H,2,10-11H2,1H3
InChIKeyTUCNHPOCYRTIET-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
CID 43516994
6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
CID 60771964
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 664461
6-methoxy-1-benzofuran-3-one
CID 585368
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one (CID 63097467) is 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one is CCc1ccc(COc2ccc3c(c2)OCC3=O)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is TUCNHPOCYRTIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-12-3-5-13(6-4-12)10-19-14-7-8-15-16(18)11-20-17(15)9-14/h3-9H,2,10-11H2,1H3.
What are the key properties of 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one?
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 268.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 63097467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).