2-oxobenzo[h]chromene-4-carbaldehyde

C14H8O3 — CID 11989493

IUPAC2-oxobenzo[h]chromene-4-carbaldehyde
SMILESO=Cc1cc(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8O3/c15-8-10-7-13(16)17-14-11-4-2-1-3-9(11)5-6-12(10)14/h1-8H
InChIKeyHYELTCXBPPOYOG-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.76
Rot. Bonds1

About 2-oxobenzo[h]chromene-4-carbaldehyde

2-oxobenzo[h]chromene-4-carbaldehyde (PubChem CID 11989493) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-oxobenzo[h]chromene-4-carbaldehyde.

Molecular Properties

Compound Name2-oxobenzo[h]chromene-4-carbaldehyde
PubChem CID11989493
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name2-oxobenzo[h]chromene-4-carbaldehyde
SMILESO=Cc1cc(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8O3/c15-8-10-7-13(16)17-14-11-4-2-1-3-9(11)5-6-12(10)14/h1-8H
InChIKeyHYELTCXBPPOYOG-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxobenzo[h]chromene-4-carbaldehyde?
The IUPAC name of 2-oxobenzo[h]chromene-4-carbaldehyde (CID 11989493) is 2-oxobenzo[h]chromene-4-carbaldehyde.
What is the SMILES notation for 2-oxobenzo[h]chromene-4-carbaldehyde?
The canonical SMILES for 2-oxobenzo[h]chromene-4-carbaldehyde is O=Cc1cc(=O)oc2c1ccc1ccccc12.
What is the InChIKey of 2-oxobenzo[h]chromene-4-carbaldehyde?
The InChIKey is HYELTCXBPPOYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-8-10-7-13(16)17-14-11-4-2-1-3-9(11)5-6-12(10)14/h1-8H.
What are the key properties of 2-oxobenzo[h]chromene-4-carbaldehyde?
2-oxobenzo[h]chromene-4-carbaldehyde has a molecular weight of 224.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobenzo[h]chromene-4-carbaldehyde is sourced from PubChem (CID 11989493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).