7-hydroxy-3-(4-iodophenoxy)chromen-4-one

C15H9IO4 — CID 5428913

IUPAC7-hydroxy-3-(4-iodophenoxy)chromen-4-one
SMILESO=c1c(Oc2ccc(I)cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H
InChIKeyXXZKJJYWINSUMJ-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.90
Rot. Bonds2

About 7-hydroxy-3-(4-iodophenoxy)chromen-4-one

7-hydroxy-3-(4-iodophenoxy)chromen-4-one (PubChem CID 5428913) has the molecular formula C15H9IO4 and a molecular weight of 380.14 g/mol. Its IUPAC name is 7-hydroxy-3-(4-iodophenoxy)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-iodophenoxy)chromen-4-one
PubChem CID5428913
Molecular FormulaC15H9IO4
Molecular Weight380.14 g/mol
Exact Mass379.95
IUPAC Name7-hydroxy-3-(4-iodophenoxy)chromen-4-one
SMILESO=c1c(Oc2ccc(I)cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H
InChIKeyXXZKJJYWINSUMJ-UHFFFAOYSA-N
XLogP3.90
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-naphthalen-2-yloxychromen-4-one
CID 5398531
7-hydroxy-3-(2-hydroxyphenoxy)chromen-4-one
CID 165346061
7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
7-hydroxy-3-methylchromen-4-one
CID 13419593
3-fluoro-7-hydroxychromen-4-one
CID 14948349
2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
CID 20994413
2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxy-2-methylpropanoic acid
CID 22681499
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-iodophenoxy)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-iodophenoxy)chromen-4-one (CID 5428913) is 7-hydroxy-3-(4-iodophenoxy)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-iodophenoxy)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-iodophenoxy)chromen-4-one is O=c1c(Oc2ccc(I)cc2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(4-iodophenoxy)chromen-4-one?
The InChIKey is XXZKJJYWINSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H.
What are the key properties of 7-hydroxy-3-(4-iodophenoxy)chromen-4-one?
7-hydroxy-3-(4-iodophenoxy)chromen-4-one has a molecular weight of 380.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-iodophenoxy)chromen-4-one is sourced from PubChem (CID 5428913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).