2-ethyl-1-benzofuran-3-carbaldehyde

C11H10O2 — CID 3159652

IUPAC2-ethyl-1-benzofuran-3-carbaldehyde
SMILESCCc1oc2ccccc2c1C=O
InChIInChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3
InChIKeyLVRCCWCFOHNTLJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.81
Rot. Bonds2

About 2-ethyl-1-benzofuran-3-carbaldehyde

2-ethyl-1-benzofuran-3-carbaldehyde (PubChem CID 3159652) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethyl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-1-benzofuran-3-carbaldehyde
PubChem CID3159652
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-ethyl-1-benzofuran-3-carbaldehyde
SMILESCCc1oc2ccccc2c1C=O
InChIInChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3
InChIKeyLVRCCWCFOHNTLJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-ethyl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-ethyl-1-benzofuran-3-carbaldehyde (CID 3159652) is 2-ethyl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-ethyl-1-benzofuran-3-carbaldehyde is CCc1oc2ccccc2c1C=O.
What is the InChIKey of 2-ethyl-1-benzofuran-3-carbaldehyde?
The InChIKey is LVRCCWCFOHNTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-1-benzofuran-3-carbaldehyde?
2-ethyl-1-benzofuran-3-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 3159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).