4,7-dihydroxy-2-oxochromene-3-carbaldehyde

C10H6O5 — CID 137208579

IUPAC4,7-dihydroxy-2-oxochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H6O5/c11-4-7-9(13)6-2-1-5(12)3-8(6)15-10(7)14/h1-4,12-13H
InChIKeyFFUVABGINNSZDM-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.02
Rot. Bonds1

About 4,7-dihydroxy-2-oxochromene-3-carbaldehyde

4,7-dihydroxy-2-oxochromene-3-carbaldehyde (PubChem CID 137208579) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4,7-dihydroxy-2-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name4,7-dihydroxy-2-oxochromene-3-carbaldehyde
PubChem CID137208579
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name4,7-dihydroxy-2-oxochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C10H6O5/c11-4-7-9(13)6-2-1-5(12)3-8(6)15-10(7)14/h1-4,12-13H
InChIKeyFFUVABGINNSZDM-UHFFFAOYSA-N
XLogP1.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2-oxochromene-3-carbaldehyde?
The IUPAC name of 4,7-dihydroxy-2-oxochromene-3-carbaldehyde (CID 137208579) is 4,7-dihydroxy-2-oxochromene-3-carbaldehyde.
What is the SMILES notation for 4,7-dihydroxy-2-oxochromene-3-carbaldehyde?
The canonical SMILES for 4,7-dihydroxy-2-oxochromene-3-carbaldehyde is O=Cc1c(O)c2ccc(O)cc2oc1=O.
What is the InChIKey of 4,7-dihydroxy-2-oxochromene-3-carbaldehyde?
The InChIKey is FFUVABGINNSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-4-7-9(13)6-2-1-5(12)3-8(6)15-10(7)14/h1-4,12-13H.
What are the key properties of 4,7-dihydroxy-2-oxochromene-3-carbaldehyde?
4,7-dihydroxy-2-oxochromene-3-carbaldehyde has a molecular weight of 206.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2-oxochromene-3-carbaldehyde is sourced from PubChem (CID 137208579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).