5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde

C15H10O4 — CID 22221614

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H10O4/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-8,17-18H
InChIKeyQQGSJJXMDWGELG-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.32
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde

5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde (PubChem CID 22221614) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde
PubChem CID22221614
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H10O4/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-8,17-18H
InChIKeyQQGSJJXMDWGELG-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde (CID 22221614) is 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde is O=Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde?
The InChIKey is QQGSJJXMDWGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-8,17-18H.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde?
5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde has a molecular weight of 254.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 22221614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).