5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde

C11H10O3 — CID 57019452

IUPAC5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
SMILESCOc1ccc2c(C=O)oc(C)c2c1
InChIInChI=1S/C11H10O3/c1-7-10-5-8(13-2)3-4-9(10)11(6-12)14-7/h3-6H,1-2H3
InChIKeyUAJWJNNTFQVMHT-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.56
Rot. Bonds2

About 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde

5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde (PubChem CID 57019452) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
PubChem CID57019452
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
SMILESCOc1ccc2c(C=O)oc(C)c2c1
InChIInChI=1S/C11H10O3/c1-7-10-5-8(13-2)3-4-9(10)11(6-12)14-7/h3-6H,1-2H3
InChIKeyUAJWJNNTFQVMHT-UHFFFAOYSA-N
XLogP2.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde?
The IUPAC name of 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde (CID 57019452) is 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde.
What is the SMILES notation for 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde?
The canonical SMILES for 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde is COc1ccc2c(C=O)oc(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde?
The InChIKey is UAJWJNNTFQVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-10-5-8(13-2)3-4-9(10)11(6-12)14-7/h3-6H,1-2H3.
What are the key properties of 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde?
5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde is sourced from PubChem (CID 57019452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).