2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde

C11H10O4 — CID 77231250

IUPAC2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)cc2c1C(=O)OC2
InChIInChI=1S/C11H10O4/c1-14-9-5-7(2-3-12)4-8-6-15-11(13)10(8)9/h3-5H,2,6H2,1H3
InChIKeyOTZDZJPAIMWJKG-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.11
Rot. Bonds3

About 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde

2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde (PubChem CID 77231250) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
PubChem CID77231250
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)cc2c1C(=O)OC2
InChIInChI=1S/C11H10O4/c1-14-9-5-7(2-3-12)4-8-6-15-11(13)10(8)9/h3-5H,2,6H2,1H3
InChIKeyOTZDZJPAIMWJKG-UHFFFAOYSA-N
XLogP1.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde 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-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde?
The IUPAC name of 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde (CID 77231250) is 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde?
The canonical SMILES for 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde is COc1cc(CC=O)cc2c1C(=O)OC2.
What is the InChIKey of 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde?
The InChIKey is OTZDZJPAIMWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-9-5-7(2-3-12)4-8-6-15-11(13)10(8)9/h3-5H,2,6H2,1H3.
What are the key properties of 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde?
2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde has a molecular weight of 206.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde is sourced from PubChem (CID 77231250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).