1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone

C16H12O3 — CID 16751592

IUPAC1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1ccc2occ(-c3ccccc3)c2c1O
InChIInChI=1S/C16H12O3/c1-10(17)12-7-8-14-15(16(12)18)13(9-19-14)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyRTHZJQJCQRGTIN-UHFFFAOYSA-N
MW252.27 g/mol
LogP4.01
Rot. Bonds2

About 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone

1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone (PubChem CID 16751592) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone
PubChem CID16751592
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1ccc2occ(-c3ccccc3)c2c1O
InChIInChI=1S/C16H12O3/c1-10(17)12-7-8-14-15(16(12)18)13(9-19-14)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyRTHZJQJCQRGTIN-UHFFFAOYSA-N
XLogP4.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone (CID 16751592) is 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone is CC(=O)c1ccc2occ(-c3ccccc3)c2c1O.
What is the InChIKey of 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone?
The InChIKey is RTHZJQJCQRGTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10(17)12-7-8-14-15(16(12)18)13(9-19-14)11-5-3-2-4-6-11/h2-9,18H,1H3.
What are the key properties of 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone?
1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone has a molecular weight of 252.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 16751592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).