(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium

C15H10IO3+ — CID 54735251

IUPAC(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
SMILESO=c1oc2ccccc2c(O)c1[I+]c1ccccc1
InChIInChI=1S/C15H9IO3/c17-14-11-8-4-5-9-12(11)19-15(18)13(14)16-10-6-2-1-3-7-10/h1-9H/p+1
InChIKeySDTMNMLKRZMCPI-UHFFFAOYSA-O
MW365.15 g/mol
LogP-0.37
Rot. Bonds2

About (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium

(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium (PubChem CID 54735251) has the molecular formula C15H10IO3+ and a molecular weight of 365.15 g/mol. Its IUPAC name is (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium.

Molecular Properties

Compound Name(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
PubChem CID54735251
Molecular FormulaC15H10IO3+
Molecular Weight365.15 g/mol
Exact Mass364.97
IUPAC Name(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
SMILESO=c1oc2ccccc2c(O)c1[I+]c1ccccc1
InChIInChI=1S/C15H9IO3/c17-14-11-8-4-5-9-12(11)19-15(18)13(14)16-10-6-2-1-3-7-10/h1-9H/p+1
InChIKeySDTMNMLKRZMCPI-UHFFFAOYSA-O
XLogP-0.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
4-hydroxy-3-(1-phenylpropyl)chromen-2-one;2-phenylindene-1,3-dione
CID 87581664
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium
CID 54721277
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
3-ethylsulfanyl-4-hydroxychromen-2-one
CID 86081050
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium?
The IUPAC name of (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium (CID 54735251) is (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium.
What is the SMILES notation for (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium?
The canonical SMILES for (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium is O=c1oc2ccccc2c(O)c1[I+]c1ccccc1.
What is the InChIKey of (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium?
The InChIKey is SDTMNMLKRZMCPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9IO3/c17-14-11-8-4-5-9-12(11)19-15(18)13(14)16-10-6-2-1-3-7-10/h1-9H/p+1.
What are the key properties of (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium?
(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium has a molecular weight of 365.15 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-oxochromen-3-yl)-phenyliodanium is sourced from PubChem (CID 54735251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).