4-(iodomethyl)-7-methoxychromen-2-one

C11H9IO3 — CID 129188629

IUPAC4-(iodomethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(CI)cc(=O)oc2c1
InChIInChI=1S/C11H9IO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKeyAGTUFYYGPGFGCK-UHFFFAOYSA-N
MW316.09 g/mol
LogP2.74
Rot. Bonds2

About 4-(iodomethyl)-7-methoxychromen-2-one

4-(iodomethyl)-7-methoxychromen-2-one (PubChem CID 129188629) has the molecular formula C11H9IO3 and a molecular weight of 316.09 g/mol. Its IUPAC name is 4-(iodomethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name4-(iodomethyl)-7-methoxychromen-2-one
PubChem CID129188629
Molecular FormulaC11H9IO3
Molecular Weight316.09 g/mol
Exact Mass315.96
IUPAC Name4-(iodomethyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(CI)cc(=O)oc2c1
InChIInChI=1S/C11H9IO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKeyAGTUFYYGPGFGCK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
7-methoxy-4-[(N,2,5-trimethylanilino)methyl]chromen-2-one
CID 52689134
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-7-methoxychromen-2-one?
The IUPAC name of 4-(iodomethyl)-7-methoxychromen-2-one (CID 129188629) is 4-(iodomethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 4-(iodomethyl)-7-methoxychromen-2-one?
The canonical SMILES for 4-(iodomethyl)-7-methoxychromen-2-one is COc1ccc2c(CI)cc(=O)oc2c1.
What is the InChIKey of 4-(iodomethyl)-7-methoxychromen-2-one?
The InChIKey is AGTUFYYGPGFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3.
What are the key properties of 4-(iodomethyl)-7-methoxychromen-2-one?
4-(iodomethyl)-7-methoxychromen-2-one has a molecular weight of 316.09 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 129188629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).