(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C16H12O4 — CID 687117

IUPAC(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)cc23)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)16(18)14-9-20-15-7-4-11(17)8-13(14)15/h2-9,17H,1H3
InChIKeyVUQAOMULUVFNHK-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.38
Rot. Bonds3

About (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 687117) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID687117
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)cc23)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)16(18)14-9-20-15-7-4-11(17)8-13(14)15/h2-9,17H,1H3
InChIKeyVUQAOMULUVFNHK-UHFFFAOYSA-N
XLogP3.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 687117) is (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3ccc(O)cc23)cc1.
What is the InChIKey of (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is VUQAOMULUVFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)16(18)14-9-20-15-7-4-11(17)8-13(14)15/h2-9,17H,1H3.
What are the key properties of (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 268.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 687117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).