2-methyl-1-benzofuran-4-carbaldehyde

C10H8O2 — CID 13170313

IUPAC2-methyl-1-benzofuran-4-carbaldehyde
SMILESCc1cc2c(C=O)cccc2o1
InChIInChI=1S/C10H8O2/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-6H,1H3
InChIKeyFKJDUAWKFXHUKH-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.55
Rot. Bonds1

About 2-methyl-1-benzofuran-4-carbaldehyde

2-methyl-1-benzofuran-4-carbaldehyde (PubChem CID 13170313) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-methyl-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-benzofuran-4-carbaldehyde
PubChem CID13170313
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name2-methyl-1-benzofuran-4-carbaldehyde
SMILESCc1cc2c(C=O)cccc2o1
InChIInChI=1S/C10H8O2/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-6H,1H3
InChIKeyFKJDUAWKFXHUKH-UHFFFAOYSA-N
XLogP2.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-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-methyl-1-benzofuran-4-carbaldehyde?
The IUPAC name of 2-methyl-1-benzofuran-4-carbaldehyde (CID 13170313) is 2-methyl-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 2-methyl-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 2-methyl-1-benzofuran-4-carbaldehyde is Cc1cc2c(C=O)cccc2o1.
What is the InChIKey of 2-methyl-1-benzofuran-4-carbaldehyde?
The InChIKey is FKJDUAWKFXHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-6H,1H3.
What are the key properties of 2-methyl-1-benzofuran-4-carbaldehyde?
2-methyl-1-benzofuran-4-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 13170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).