cyclopenta[f]chromene-5-carbaldehyde

C13H8O2 — CID 176900277

IUPACcyclopenta[f]chromene-5-carbaldehyde
SMILESO=Cc1cc2cccc2c2cccoc12
InChIInChI=1S/C13H8O2/c14-8-10-7-9-3-1-4-11(9)12-5-2-6-15-13(10)12/h1-8H
InChIKeyFXTONGAFFIANDH-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.40
Rot. Bonds1

About cyclopenta[f]chromene-5-carbaldehyde

cyclopenta[f]chromene-5-carbaldehyde (PubChem CID 176900277) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is cyclopenta[f]chromene-5-carbaldehyde.

Molecular Properties

Compound Namecyclopenta[f]chromene-5-carbaldehyde
PubChem CID176900277
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Namecyclopenta[f]chromene-5-carbaldehyde
SMILESO=Cc1cc2cccc2c2cccoc12
InChIInChI=1S/C13H8O2/c14-8-10-7-9-3-1-4-11(9)12-5-2-6-15-13(10)12/h1-8H
InChIKeyFXTONGAFFIANDH-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 cyclopenta[f]chromene-5-carbaldehyde?
The IUPAC name of cyclopenta[f]chromene-5-carbaldehyde (CID 176900277) is cyclopenta[f]chromene-5-carbaldehyde.
What is the SMILES notation for cyclopenta[f]chromene-5-carbaldehyde?
The canonical SMILES for cyclopenta[f]chromene-5-carbaldehyde is O=Cc1cc2cccc2c2cccoc12.
What is the InChIKey of cyclopenta[f]chromene-5-carbaldehyde?
The InChIKey is FXTONGAFFIANDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-8-10-7-9-3-1-4-11(9)12-5-2-6-15-13(10)12/h1-8H.
What are the key properties of cyclopenta[f]chromene-5-carbaldehyde?
cyclopenta[f]chromene-5-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 cyclopenta[f]chromene-5-carbaldehyde is sourced from PubChem (CID 176900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).