2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde

C15H10O5 — CID 636753

IUPAC2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde
SMILESO=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12
InChIInChI=1S/C15H10O5/c16-7-9-2-4-12(18)15-10(9)6-14(20-15)8-1-3-11(17)13(19)5-8/h1-7,17-19H
InChIKeyXQXIDELHPWXTDD-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.03
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde

2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde (PubChem CID 636753) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde
PubChem CID636753
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde
SMILESO=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12
InChIInChI=1S/C15H10O5/c16-7-9-2-4-12(18)15-10(9)6-14(20-15)8-1-3-11(17)13(19)5-8/h1-7,17-19H
InChIKeyXQXIDELHPWXTDD-UHFFFAOYSA-N
XLogP3.03
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde (CID 636753) is 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde is O=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde?
The InChIKey is XQXIDELHPWXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-7-9-2-4-12(18)15-10(9)6-14(20-15)8-1-3-11(17)13(19)5-8/h1-7,17-19H.
What are the key properties of 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde?
2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde has a molecular weight of 270.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 636753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).