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

C13H12O3 — CID 36995432

IUPAC2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2oc(C3CC3)c(C=O)c2c1
InChIInChI=1S/C13H12O3/c1-15-9-4-5-12-10(6-9)11(7-14)13(16-12)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyKDVJKDBTKAPRDZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.13
Rot. Bonds3

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

2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde (PubChem CID 36995432) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
PubChem CID36995432
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2oc(C3CC3)c(C=O)c2c1
InChIInChI=1S/C13H12O3/c1-15-9-4-5-12-10(6-9)11(7-14)13(16-12)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyKDVJKDBTKAPRDZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.13
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 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde (CID 36995432) is 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde is COc1ccc2oc(C3CC3)c(C=O)c2c1.
What is the InChIKey of 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde?
The InChIKey is KDVJKDBTKAPRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-9-4-5-12-10(6-9)11(7-14)13(16-12)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde?
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 36995432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).