4-oxo-6,7-dihydrochromene-2-carbonyl iodide

C10H7IO3 — CID 145040071

IUPAC4-oxo-6,7-dihydrochromene-2-carbonyl iodide
SMILESO=C(I)c1cc(=O)c2c(o1)=CCCC=2
InChIInChI=1S/C10H7IO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h3-5H,1-2H2
InChIKeyATISNRMRJLDBBC-UHFFFAOYSA-N
MW302.07 g/mol
LogP0.57
Rot. Bonds1

About 4-oxo-6,7-dihydrochromene-2-carbonyl iodide

4-oxo-6,7-dihydrochromene-2-carbonyl iodide (PubChem CID 145040071) has the molecular formula C10H7IO3 and a molecular weight of 302.07 g/mol. Its IUPAC name is 4-oxo-6,7-dihydrochromene-2-carbonyl iodide.

Molecular Properties

Compound Name4-oxo-6,7-dihydrochromene-2-carbonyl iodide
PubChem CID145040071
Molecular FormulaC10H7IO3
Molecular Weight302.07 g/mol
Exact Mass301.94
IUPAC Name4-oxo-6,7-dihydrochromene-2-carbonyl iodide
SMILESO=C(I)c1cc(=O)c2c(o1)=CCCC=2
InChIInChI=1S/C10H7IO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h3-5H,1-2H2
InChIKeyATISNRMRJLDBBC-UHFFFAOYSA-N
XLogP0.57
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7-dihydrochromene-2-carbonyl iodide?
The IUPAC name of 4-oxo-6,7-dihydrochromene-2-carbonyl iodide (CID 145040071) is 4-oxo-6,7-dihydrochromene-2-carbonyl iodide.
What is the SMILES notation for 4-oxo-6,7-dihydrochromene-2-carbonyl iodide?
The canonical SMILES for 4-oxo-6,7-dihydrochromene-2-carbonyl iodide is O=C(I)c1cc(=O)c2c(o1)=CCCC=2.
What is the InChIKey of 4-oxo-6,7-dihydrochromene-2-carbonyl iodide?
The InChIKey is ATISNRMRJLDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h3-5H,1-2H2.
What are the key properties of 4-oxo-6,7-dihydrochromene-2-carbonyl iodide?
4-oxo-6,7-dihydrochromene-2-carbonyl iodide has a molecular weight of 302.07 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7-dihydrochromene-2-carbonyl iodide is sourced from PubChem (CID 145040071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).