5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

C12H14O3 — CID 47002539

IUPAC5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESCCOc1cc(C=O)c2c(c1)CC(C)O2
InChIInChI=1S/C12H14O3/c1-3-14-11-5-9-4-8(2)15-12(9)10(6-11)7-13/h5-8H,3-4H2,1-2H3
InChIKeyFKJFDKPQBHBNIH-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds3

About 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde (PubChem CID 47002539) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
PubChem CID47002539
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESCCOc1cc(C=O)c2c(c1)CC(C)O2
InChIInChI=1S/C12H14O3/c1-3-14-11-5-9-4-8(2)15-12(9)10(6-11)7-13/h5-8H,3-4H2,1-2H3
InChIKeyFKJFDKPQBHBNIH-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
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-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde (CID 47002539) is 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde is CCOc1cc(C=O)c2c(c1)CC(C)O2.
What is the InChIKey of 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The InChIKey is FKJFDKPQBHBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-14-11-5-9-4-8(2)15-12(9)10(6-11)7-13/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 47002539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).