3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one

C15H9IO5 — CID 10453329

IUPAC3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(I)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H9IO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
InChIKeyJZGNQOUGTXYCBJ-UHFFFAOYSA-N
MW396.14 g/mol
LogP3.18
Rot. Bonds1

About 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one

3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one (PubChem CID 10453329) has the molecular formula C15H9IO5 and a molecular weight of 396.14 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
PubChem CID10453329
Molecular FormulaC15H9IO5
Molecular Weight396.14 g/mol
Exact Mass395.95
IUPAC Name3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(I)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H9IO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
InChIKeyJZGNQOUGTXYCBJ-UHFFFAOYSA-N
XLogP3.18
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.14
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
2-(4-azidophenyl)-3,5,7-trihydroxychromen-4-one
CID 101084152
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;tris(2,3,5,6-tetramethylpyrazine)
CID 139048285

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one (CID 10453329) is 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one is O=c1c(O)c(-c2ccc(I)cc2)oc2cc(O)cc(O)c12.
What is the InChIKey of 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one?
The InChIKey is JZGNQOUGTXYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H.
What are the key properties of 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one?
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one has a molecular weight of 396.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one is sourced from PubChem (CID 10453329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).