[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite

C15H13IOS — CID 132547089

IUPAC[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
SMILESC=Cc1ccc(COc2ccc(SI)cc2)cc1
InChIInChI=1S/C15H13IOS/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(18-16)10-8-14/h2-10H,1,11H2
InChIKeyZBELECIEHKBQTN-UHFFFAOYSA-N
MW368.24 g/mol
LogP5.35
Rot. Bonds5

About [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite

[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite (PubChem CID 132547089) has the molecular formula C15H13IOS and a molecular weight of 368.24 g/mol. Its IUPAC name is [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite.

Molecular Properties

Compound Name[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
PubChem CID132547089
Molecular FormulaC15H13IOS
Molecular Weight368.24 g/mol
Exact Mass367.97
IUPAC Name[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
SMILESC=Cc1ccc(COc2ccc(SI)cc2)cc1
InChIInChI=1S/C15H13IOS/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(18-16)10-8-14/h2-10H,1,11H2
InChIKeyZBELECIEHKBQTN-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.24
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
CID 20764928
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
CID 89231476
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
CID 102507741
[4-[(4-ethenylphenyl)methoxy]phenyl]-difluoromethanesulfonic acid
CID 89361568
[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methanol
CID 101241256
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
CID 14232060

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite?
The IUPAC name of [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite (CID 132547089) is [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite.
What is the SMILES notation for [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite?
The canonical SMILES for [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite is C=Cc1ccc(COc2ccc(SI)cc2)cc1.
What is the InChIKey of [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite?
The InChIKey is ZBELECIEHKBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IOS/c1-2-12-3-5-13(6-4-12)11-17-14-7-9-15(18-16)10-8-14/h2-10H,1,11H2.
What are the key properties of [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite?
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite has a molecular weight of 368.24 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite is sourced from PubChem (CID 132547089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).