3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium

C15H14IO+ — CID 16658319

IUPAC3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium
SMILESc1ccc([I+]c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C15H14IO/c1-2-6-13(7-3-1)16-14-8-9-15-12(11-14)5-4-10-17-15/h1-3,6-9,11H,4-5,10H2/q+1
InChIKeyGLWTUWIIXXTSLL-UHFFFAOYSA-N
MW337.18 g/mol
LogP0.14
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium

3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium (PubChem CID 16658319) has the molecular formula C15H14IO+ and a molecular weight of 337.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium
PubChem CID16658319
Molecular FormulaC15H14IO+
Molecular Weight337.18 g/mol
Exact Mass337.01
IUPAC Name3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium
SMILESc1ccc([I+]c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C15H14IO/c1-2-6-13(7-3-1)16-14-8-9-15-12(11-14)5-4-10-17-15/h1-3,6-9,11H,4-5,10H2/q+1
InChIKeyGLWTUWIIXXTSLL-UHFFFAOYSA-N
XLogP0.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-2H-chromene
CID 173011896
3,4-dihydro-2H-chromene;ethane
CID 91076984
3-(3,4-dihydro-2H-chromen-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 123488920
3,4-dihydro-2H-chromene;naphthalene
CID 144745299
3,4-dihydro-2H-chromene;hydron;iron;lanthanum
CID 175145681
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
strontium;3,4-dihydro-2H-chromene;hydride;oxolead
CID 173450529
6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
bis(3,4-dihydro-2H-chromene);pyridine
CID 172723174

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium (CID 16658319) is 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium is c1ccc([I+]c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium?
The InChIKey is GLWTUWIIXXTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IO/c1-2-6-13(7-3-1)16-14-8-9-15-12(11-14)5-4-10-17-15/h1-3,6-9,11H,4-5,10H2/q+1.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium?
3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium has a molecular weight of 337.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl(phenyl)iodanium is sourced from PubChem (CID 16658319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).