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

C16H12O3 — CID 787459

IUPAC(5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2coc3ccc(O)cc23)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)16(18)14-9-19-15-7-6-12(17)8-13(14)15/h2-9,17H,1H3
InChIKeyPZBCCJPEYGBHGM-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.68
Rot. Bonds2

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

(5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone (PubChem CID 787459) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone
PubChem CID787459
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2coc3ccc(O)cc23)cc1
InChIInChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)16(18)14-9-19-15-7-6-12(17)8-13(14)15/h2-9,17H,1H3
InChIKeyPZBCCJPEYGBHGM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone (CID 787459) is (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2coc3ccc(O)cc23)cc1.
What is the InChIKey of (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone?
The InChIKey is PZBCCJPEYGBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)16(18)14-9-19-15-7-6-12(17)8-13(14)15/h2-9,17H,1H3.
What are the key properties of (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone?
(5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone has a molecular weight of 252.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-benzofuran-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 787459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).