2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one

C17H13IO4 — CID 15160791

IUPAC2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(COc3ccccc3I)oc2c1
InChIInChI=1S/C17H13IO4/c1-20-11-6-7-13-15(19)8-12(22-17(13)9-11)10-21-16-5-3-2-4-14(16)18/h2-9H,10H2,1H3
InChIKeyNJXSEZOIJGJINN-UHFFFAOYSA-N
MW408.19 g/mol
LogP3.99
Rot. Bonds4

About 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one

2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one (PubChem CID 15160791) has the molecular formula C17H13IO4 and a molecular weight of 408.19 g/mol. Its IUPAC name is 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one
PubChem CID15160791
Molecular FormulaC17H13IO4
Molecular Weight408.19 g/mol
Exact Mass407.99
IUPAC Name2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(COc3ccccc3I)oc2c1
InChIInChI=1S/C17H13IO4/c1-20-11-6-7-13-15(19)8-12(22-17(13)9-11)10-21-16-5-3-2-4-14(16)18/h2-9H,10H2,1H3
InChIKeyNJXSEZOIJGJINN-UHFFFAOYSA-N
XLogP3.99
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-7-methoxychromen-4-one
CID 10013150
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
CID 127027266
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
2-[(2-iodophenoxy)methyl]-4-methoxy-1-prop-1-ynylbenzene
CID 86243483
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
2-cyclopenta-2,4-dien-1-yl-7-methoxychromen-4-one;cyclopentane;iron
CID 87386627
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one?
The IUPAC name of 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one (CID 15160791) is 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one.
What is the SMILES notation for 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one?
The canonical SMILES for 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one is COc1ccc2c(=O)cc(COc3ccccc3I)oc2c1.
What is the InChIKey of 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one?
The InChIKey is NJXSEZOIJGJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IO4/c1-20-11-6-7-13-15(19)8-12(22-17(13)9-11)10-21-16-5-3-2-4-14(16)18/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one?
2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one has a molecular weight of 408.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one is sourced from PubChem (CID 15160791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).