2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde

C16H12O3 — CID 12550686

IUPAC2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc(-c2oc3ccccc3c2C=O)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeySHSNFIPGMUHPGQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.92
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde

2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde (PubChem CID 12550686) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
PubChem CID12550686
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc(-c2oc3ccccc3c2C=O)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeySHSNFIPGMUHPGQ-UHFFFAOYSA-N
XLogP3.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-1-benzofuran-3-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-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde (CID 12550686) is 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde is COc1ccc(-c2oc3ccccc3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde?
The InChIKey is SHSNFIPGMUHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-14(10-17)13-4-2-3-5-15(13)19-16/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde?
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 12550686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).