[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite

C22H18INO3 — CID 166660979

IUPAC[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(OI)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H18INO3/c1-14-20-12-18(26)8-11-21(20)24(13-15-2-9-19(27-23)10-3-15)22(14)16-4-6-17(25)7-5-16/h2-12,25-26H,13H2,1H3
InChIKeyVDSWVKFNYKXJIT-UHFFFAOYSA-N
MW471.29 g/mol
LogP5.81
Rot. Bonds4

About [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite

[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite (PubChem CID 166660979) has the molecular formula C22H18INO3 and a molecular weight of 471.29 g/mol. Its IUPAC name is [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite.

Molecular Properties

Compound Name[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite
PubChem CID166660979
Molecular FormulaC22H18INO3
Molecular Weight471.29 g/mol
Exact Mass471.03
IUPAC Name[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(OI)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H18INO3/c1-14-20-12-18(26)8-11-21(20)24(13-15-2-9-19(27-23)10-3-15)22(14)16-4-6-17(25)7-5-16/h2-12,25-26H,13H2,1H3
InChIKeyVDSWVKFNYKXJIT-UHFFFAOYSA-N
XLogP5.81
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.29
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite?
The IUPAC name of [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite (CID 166660979) is [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite.
What is the SMILES notation for [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite?
The canonical SMILES for [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite is Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OI)cc2)c2ccc(O)cc12.
What is the InChIKey of [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite?
The InChIKey is VDSWVKFNYKXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18INO3/c1-14-20-12-18(26)8-11-21(20)24(13-15-2-9-19(27-23)10-3-15)22(14)16-4-6-17(25)7-5-16/h2-12,25-26H,13H2,1H3.
What are the key properties of [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite?
[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite has a molecular weight of 471.29 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite is sourced from PubChem (CID 166660979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).