(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone

C14H12O4 — CID 24869947

IUPAC(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone
SMILESCC1C=CC(C(=O)c2coc3ccc(O)cc23)O1
InChIInChI=1S/C14H12O4/c1-8-2-4-13(18-8)14(16)11-7-17-12-5-3-9(15)6-10(11)12/h2-8,13,15H,1H3
InChIKeyIQQPHMAJBZBMGV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.66
Rot. Bonds2

About (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone

(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone (PubChem CID 24869947) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone
PubChem CID24869947
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone
SMILESCC1C=CC(C(=O)c2coc3ccc(O)cc23)O1
InChIInChI=1S/C14H12O4/c1-8-2-4-13(18-8)14(16)11-7-17-12-5-3-9(15)6-10(11)12/h2-8,13,15H,1H3
InChIKeyIQQPHMAJBZBMGV-UHFFFAOYSA-N
XLogP2.66
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone?
The IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone (CID 24869947) is (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone.
What is the SMILES notation for (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone?
The canonical SMILES for (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone is CC1C=CC(C(=O)c2coc3ccc(O)cc23)O1.
What is the InChIKey of (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone?
The InChIKey is IQQPHMAJBZBMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-8-2-4-13(18-8)14(16)11-7-17-12-5-3-9(15)6-10(11)12/h2-8,13,15H,1H3.
What are the key properties of (5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone?
(5-hydroxy-1-benzofuran-3-yl)-(5-methyl-2,5-dihydrofuran-2-yl)methanone has a molecular weight of 244.25 g/mol, XLogP of 2.66, 2 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)-(5-methyl-2,5-dihydrofuran-2-yl)methanone is sourced from PubChem (CID 24869947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).