(7-methyl-2-oxochromen-3-yl)methyl hypoiodite

C11H9IO3 — CID 155721397

IUPAC(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
SMILESCc1ccc2cc(COI)c(=O)oc2c1
InChIInChI=1S/C11H9IO3/c1-7-2-3-8-5-9(6-14-12)11(13)15-10(8)4-7/h2-5H,6H2,1H3
InChIKeyKGJNSEKPPLBSDJ-UHFFFAOYSA-N
MW316.09 g/mol
LogP2.97
Rot. Bonds2

About (7-methyl-2-oxochromen-3-yl)methyl hypoiodite

(7-methyl-2-oxochromen-3-yl)methyl hypoiodite (PubChem CID 155721397) has the molecular formula C11H9IO3 and a molecular weight of 316.09 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-3-yl)methyl hypoiodite.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
PubChem CID155721397
Molecular FormulaC11H9IO3
Molecular Weight316.09 g/mol
Exact Mass315.96
IUPAC Name(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
SMILESCc1ccc2cc(COI)c(=O)oc2c1
InChIInChI=1S/C11H9IO3/c1-7-2-3-8-5-9(6-14-12)11(13)15-10(8)4-7/h2-5H,6H2,1H3
InChIKeyKGJNSEKPPLBSDJ-UHFFFAOYSA-N
XLogP2.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-(3-methylbut-2-enyl)chromen-2-one
CID 134990013
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
7-amino-3-(ethoxymethyl)chromen-2-one
CID 163290434
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methylchromen-2-one
CID 134912179
(7-amino-2-oxochromen-3-yl)methyl acetate
CID 167106111
7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 142841478
6-methyl-3-prop-2-enylchromen-2-one
CID 101488026
7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
7-tert-butyl-3-ethylchromen-2-one
CID 89010993

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-3-yl)methyl hypoiodite?
The IUPAC name of (7-methyl-2-oxochromen-3-yl)methyl hypoiodite (CID 155721397) is (7-methyl-2-oxochromen-3-yl)methyl hypoiodite.
What is the SMILES notation for (7-methyl-2-oxochromen-3-yl)methyl hypoiodite?
The canonical SMILES for (7-methyl-2-oxochromen-3-yl)methyl hypoiodite is Cc1ccc2cc(COI)c(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-3-yl)methyl hypoiodite?
The InChIKey is KGJNSEKPPLBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO3/c1-7-2-3-8-5-9(6-14-12)11(13)15-10(8)4-7/h2-5H,6H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-3-yl)methyl hypoiodite?
(7-methyl-2-oxochromen-3-yl)methyl hypoiodite has a molecular weight of 316.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-3-yl)methyl hypoiodite is sourced from PubChem (CID 155721397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).