6-methyl-4-oxochromene-3-carbonyl chloride

C11H7ClO3 — CID 139222977

IUPAC6-methyl-4-oxochromene-3-carbonyl chloride
SMILESCc1ccc2occ(C(=O)Cl)c(=O)c2c1
InChIInChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(13)8(5-15-9)11(12)14/h2-5H,1H3
InChIKeyHNKCKDKKTFPFAZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.48
Rot. Bonds1

About 6-methyl-4-oxochromene-3-carbonyl chloride

6-methyl-4-oxochromene-3-carbonyl chloride (PubChem CID 139222977) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-methyl-4-oxochromene-3-carbonyl chloride.

Molecular Properties

Compound Name6-methyl-4-oxochromene-3-carbonyl chloride
PubChem CID139222977
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name6-methyl-4-oxochromene-3-carbonyl chloride
SMILESCc1ccc2occ(C(=O)Cl)c(=O)c2c1
InChIInChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(13)8(5-15-9)11(12)14/h2-5H,1H3
InChIKeyHNKCKDKKTFPFAZ-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxochromene-3-carbonyl chloride?
The IUPAC name of 6-methyl-4-oxochromene-3-carbonyl chloride (CID 139222977) is 6-methyl-4-oxochromene-3-carbonyl chloride.
What is the SMILES notation for 6-methyl-4-oxochromene-3-carbonyl chloride?
The canonical SMILES for 6-methyl-4-oxochromene-3-carbonyl chloride is Cc1ccc2occ(C(=O)Cl)c(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxochromene-3-carbonyl chloride?
The InChIKey is HNKCKDKKTFPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(13)8(5-15-9)11(12)14/h2-5H,1H3.
What are the key properties of 6-methyl-4-oxochromene-3-carbonyl chloride?
6-methyl-4-oxochromene-3-carbonyl chloride has a molecular weight of 222.63 g/mol, XLogP of 2.48, 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-carbonyl chloride is sourced from PubChem (CID 139222977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).