7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one

C15H8BrIO4 — CID 70417264

IUPAC7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(Br)c(I)c(O)c12
InChIInChI=1S/C15H8BrIO4/c16-8-6-9-10(12(18)11(8)17)13(19)14(20)15(21-9)7-4-2-1-3-5-7/h1-6,18,20H
InChIKeyNAPVXUMKSHDWTR-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.24
Rot. Bonds1

About 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one

7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one (PubChem CID 70417264) has the molecular formula C15H8BrIO4 and a molecular weight of 459.03 g/mol. Its IUPAC name is 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
PubChem CID70417264
Molecular FormulaC15H8BrIO4
Molecular Weight459.03 g/mol
Exact Mass457.87
IUPAC Name7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2cc(Br)c(I)c(O)c12
InChIInChI=1S/C15H8BrIO4/c16-8-6-9-10(12(18)11(8)17)13(19)14(20)15(21-9)7-4-2-1-3-5-7/h1-6,18,20H
InChIKeyNAPVXUMKSHDWTR-UHFFFAOYSA-N
XLogP4.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
5,7-dibromo-3-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 162675191
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 174605613
3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
CID 19427220
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274
8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
CID 144894370

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one?
The IUPAC name of 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one (CID 70417264) is 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one.
What is the SMILES notation for 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one?
The canonical SMILES for 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one is O=c1c(O)c(-c2ccccc2)oc2cc(Br)c(I)c(O)c12.
What is the InChIKey of 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one?
The InChIKey is NAPVXUMKSHDWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrIO4/c16-8-6-9-10(12(18)11(8)17)13(19)14(20)15(21-9)7-4-2-1-3-5-7/h1-6,18,20H.
What are the key properties of 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one?
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one has a molecular weight of 459.03 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one is sourced from PubChem (CID 70417264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).