6-methyl-4-oxochromene-3-carbaldehyde

C11H8O3 — CID 688709

IUPAC6-methyl-4-oxochromene-3-carbaldehyde
SMILESCc1ccc2occ(C=O)c(=O)c2c1
InChIInChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChIKeyGBWMIOYSMWCYIZ-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.91
Rot. Bonds1

About 6-methyl-4-oxochromene-3-carbaldehyde

6-methyl-4-oxochromene-3-carbaldehyde (PubChem CID 688709) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 6-methyl-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-oxochromene-3-carbaldehyde
PubChem CID688709
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name6-methyl-4-oxochromene-3-carbaldehyde
SMILESCc1ccc2occ(C=O)c(=O)c2c1
InChIInChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChIKeyGBWMIOYSMWCYIZ-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxochromene-3-carbaldehyde?
The IUPAC name of 6-methyl-4-oxochromene-3-carbaldehyde (CID 688709) is 6-methyl-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 6-methyl-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 6-methyl-4-oxochromene-3-carbaldehyde is Cc1ccc2occ(C=O)c(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxochromene-3-carbaldehyde?
The InChIKey is GBWMIOYSMWCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3.
What are the key properties of 6-methyl-4-oxochromene-3-carbaldehyde?
6-methyl-4-oxochromene-3-carbaldehyde has a molecular weight of 188.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 688709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).