2-(2-methyl-1-benzofuran-4-yl)acetaldehyde

C11H10O2 — CID 117204227

IUPAC2-(2-methyl-1-benzofuran-4-yl)acetaldehyde
SMILESCc1cc2c(CC=O)cccc2o1
InChIInChI=1S/C11H10O2/c1-8-7-10-9(5-6-12)3-2-4-11(10)13-8/h2-4,6-7H,5H2,1H3
InChIKeyVUJNYKAGOGUVHF-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.48
Rot. Bonds2

About 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde

2-(2-methyl-1-benzofuran-4-yl)acetaldehyde (PubChem CID 117204227) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1-benzofuran-4-yl)acetaldehyde
PubChem CID117204227
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-(2-methyl-1-benzofuran-4-yl)acetaldehyde
SMILESCc1cc2c(CC=O)cccc2o1
InChIInChI=1S/C11H10O2/c1-8-7-10-9(5-6-12)3-2-4-11(10)13-8/h2-4,6-7H,5H2,1H3
InChIKeyVUJNYKAGOGUVHF-UHFFFAOYSA-N
XLogP2.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde (CID 117204227) is 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde is Cc1cc2c(CC=O)cccc2o1.
What is the InChIKey of 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde?
The InChIKey is VUJNYKAGOGUVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-7-10-9(5-6-12)3-2-4-11(10)13-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde?
2-(2-methyl-1-benzofuran-4-yl)acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzofuran-4-yl)acetaldehyde is sourced from PubChem (CID 117204227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).