3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one

C17H13IO7 — CID 167110086

IUPAC3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
SMILESCOc1cc(-c2oc3cc(I)c(OC)c(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C17H13IO7/c1-23-10-5-7(3-4-9(10)19)16-15(22)13(20)12-11(25-16)6-8(18)17(24-2)14(12)21/h3-6,19,21-22H,1-2H3
InChIKeyORQHMHIGNJPEEC-UHFFFAOYSA-N
MW456.19 g/mol
LogP3.20
Rot. Bonds3

About 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one (PubChem CID 167110086) has the molecular formula C17H13IO7 and a molecular weight of 456.19 g/mol. Its IUPAC name is 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
PubChem CID167110086
Molecular FormulaC17H13IO7
Molecular Weight456.19 g/mol
Exact Mass455.97
IUPAC Name3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
SMILESCOc1cc(-c2oc3cc(I)c(OC)c(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C17H13IO7/c1-23-10-5-7(3-4-9(10)19)16-15(22)13(20)12-11(25-16)6-8(18)17(24-2)14(12)21/h3-6,19,21-22H,1-2H3
InChIKeyORQHMHIGNJPEEC-UHFFFAOYSA-N
XLogP3.20
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.19
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one 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

3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
[2-hydroxy-5-(3,5,7-trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate
CID 131835076
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162943322
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(13-hydroxytridecyl)-7-methoxychromen-4-one
CID 68830960
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one;2-(3,4-dihydroxyphenyl)-6-hydroperoxy-5,7-dihydroxy-3-methoxychromen-4-one
CID 161246973
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one?
The IUPAC name of 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one (CID 167110086) is 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one.
What is the SMILES notation for 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one?
The canonical SMILES for 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one is COc1cc(-c2oc3cc(I)c(OC)c(O)c3c(=O)c2O)ccc1O.
What is the InChIKey of 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one?
The InChIKey is ORQHMHIGNJPEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IO7/c1-23-10-5-7(3-4-9(10)19)16-15(22)13(20)12-11(25-16)6-8(18)17(24-2)14(12)21/h3-6,19,21-22H,1-2H3.
What are the key properties of 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one?
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one has a molecular weight of 456.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one is sourced from PubChem (CID 167110086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).