(2-oxochromen-7-yl) hypoiodite

C9H5IO3 — CID 138751183

IUPAC(2-oxochromen-7-yl) hypoiodite
SMILESO=c1ccc2ccc(OI)cc2o1
InChIInChI=1S/C9H5IO3/c10-13-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
InChIKeyXHRVUGUREXCJEE-UHFFFAOYSA-N
MW288.04 g/mol
LogP2.52
Rot. Bonds1

About (2-oxochromen-7-yl) hypoiodite

(2-oxochromen-7-yl) hypoiodite (PubChem CID 138751183) has the molecular formula C9H5IO3 and a molecular weight of 288.04 g/mol. Its IUPAC name is (2-oxochromen-7-yl) hypoiodite.

Molecular Properties

Compound Name(2-oxochromen-7-yl) hypoiodite
PubChem CID138751183
Molecular FormulaC9H5IO3
Molecular Weight288.04 g/mol
Exact Mass287.93
IUPAC Name(2-oxochromen-7-yl) hypoiodite
SMILESO=c1ccc2ccc(OI)cc2o1
InChIInChI=1S/C9H5IO3/c10-13-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
InChIKeyXHRVUGUREXCJEE-UHFFFAOYSA-N
XLogP2.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 52.52
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'}

Analyze (2-oxochromen-7-yl) hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-prop-1-ynoxychromen-2-one
CID 125495534
7-ethynoxychromen-2-one
CID 167427809
potassium (2-oxochromen-7-yl) sulfate
CID 46781774
7-(2-aminoethoxy)chromen-2-one
CID 82506816
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
(2-oxochromen-7-yl) 2-chloroprop-2-enoate
CID 21251841
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) hypoiodite?
The IUPAC name of (2-oxochromen-7-yl) hypoiodite (CID 138751183) is (2-oxochromen-7-yl) hypoiodite.
What is the SMILES notation for (2-oxochromen-7-yl) hypoiodite?
The canonical SMILES for (2-oxochromen-7-yl) hypoiodite is O=c1ccc2ccc(OI)cc2o1.
What is the InChIKey of (2-oxochromen-7-yl) hypoiodite?
The InChIKey is XHRVUGUREXCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IO3/c10-13-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H.
What are the key properties of (2-oxochromen-7-yl) hypoiodite?
(2-oxochromen-7-yl) hypoiodite has a molecular weight of 288.04 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) hypoiodite is sourced from PubChem (CID 138751183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).