benzo[e][1]benzofuran-4-carbaldehyde

C13H8O2 — CID 102499967

IUPACbenzo[e][1]benzofuran-4-carbaldehyde
SMILESO=Cc1cc2ccccc2c2ccoc12
InChIInChI=1S/C13H8O2/c14-8-10-7-9-3-1-2-4-11(9)12-5-6-15-13(10)12/h1-8H
InChIKeyXVMRQTMRLJMNJV-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.40
Rot. Bonds1

About benzo[e][1]benzofuran-4-carbaldehyde

benzo[e][1]benzofuran-4-carbaldehyde (PubChem CID 102499967) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is benzo[e][1]benzofuran-4-carbaldehyde.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-4-carbaldehyde
PubChem CID102499967
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Namebenzo[e][1]benzofuran-4-carbaldehyde
SMILESO=Cc1cc2ccccc2c2ccoc12
InChIInChI=1S/C13H8O2/c14-8-10-7-9-3-1-2-4-11(9)12-5-6-15-13(10)12/h1-8H
InChIKeyXVMRQTMRLJMNJV-UHFFFAOYSA-N
XLogP3.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.40
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 benzo[e][1]benzofuran-4-carbaldehyde?
The IUPAC name of benzo[e][1]benzofuran-4-carbaldehyde (CID 102499967) is benzo[e][1]benzofuran-4-carbaldehyde.
What is the SMILES notation for benzo[e][1]benzofuran-4-carbaldehyde?
The canonical SMILES for benzo[e][1]benzofuran-4-carbaldehyde is O=Cc1cc2ccccc2c2ccoc12.
What is the InChIKey of benzo[e][1]benzofuran-4-carbaldehyde?
The InChIKey is XVMRQTMRLJMNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-8-10-7-9-3-1-2-4-11(9)12-5-6-15-13(10)12/h1-8H.
What are the key properties of benzo[e][1]benzofuran-4-carbaldehyde?
benzo[e][1]benzofuran-4-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-4-carbaldehyde is sourced from PubChem (CID 102499967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).