4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde

C14H10O6 — CID 15568808

IUPAC4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde
SMILESCOc1c2occc2c(OC)c2c(=O)c(C=O)coc12
InChIInChI=1S/C14H10O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-9(11)10(16)7(5-15)6-20-13/h3-6H,1-2H3
InChIKeyUELAHFBJLGTYAF-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.37
Rot. Bonds3

About 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde

4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde (PubChem CID 15568808) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde.

Molecular Properties

Compound Name4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde
PubChem CID15568808
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde
SMILESCOc1c2occc2c(OC)c2c(=O)c(C=O)coc12
InChIInChI=1S/C14H10O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-9(11)10(16)7(5-15)6-20-13/h3-6H,1-2H3
InChIKeyUELAHFBJLGTYAF-UHFFFAOYSA-N
XLogP2.37
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The IUPAC name of 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde (CID 15568808) is 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde.
What is the SMILES notation for 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The canonical SMILES for 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde is COc1c2occc2c(OC)c2c(=O)c(C=O)coc12.
What is the InChIKey of 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
The InChIKey is UELAHFBJLGTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-9(11)10(16)7(5-15)6-20-13/h3-6H,1-2H3.
What are the key properties of 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde?
4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde has a molecular weight of 274.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-5-oxofuro[3,2-g]chromene-6-carbaldehyde is sourced from PubChem (CID 15568808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).