[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium

C19H14F2IO+ — CID 167331521

IUPAC[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium
SMILESFc1cc(F)cc(COc2ccc([I+]c3ccccc3)cc2)c1
InChIInChI=1S/C19H14F2IO/c20-15-10-14(11-16(21)12-15)13-23-19-8-6-18(7-9-19)22-17-4-2-1-3-5-17/h1-12H,13H2/q+1
InChIKeyJYXIJEAGRVDAQZ-UHFFFAOYSA-N
MW423.22 g/mol
LogP1.67
Rot. Bonds5

About [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium

[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium (PubChem CID 167331521) has the molecular formula C19H14F2IO+ and a molecular weight of 423.22 g/mol. Its IUPAC name is [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium.

Molecular Properties

Compound Name[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium
PubChem CID167331521
Molecular FormulaC19H14F2IO+
Molecular Weight423.22 g/mol
Exact Mass423.01
IUPAC Name[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium
SMILESFc1cc(F)cc(COc2ccc([I+]c3ccccc3)cc2)c1
InChIInChI=1S/C19H14F2IO/c20-15-10-14(11-16(21)12-15)13-23-19-8-6-18(7-9-19)22-17-4-2-1-3-5-17/h1-12H,13H2/q+1
InChIKeyJYXIJEAGRVDAQZ-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 51.67
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

4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
5-[4-[(3,5-difluorophenyl)methoxy]phenyl]dibenzothiophen-5-ium
CID 166037462
[4-(4-fluorophenoxy)phenyl]-phenyliodanium
CID 162496484
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
[4-(4-bromobutoxy)phenyl]-phenyliodanium
CID 150846349

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium?
The IUPAC name of [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium (CID 167331521) is [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium.
What is the SMILES notation for [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium?
The canonical SMILES for [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium is Fc1cc(F)cc(COc2ccc([I+]c3ccccc3)cc2)c1.
What is the InChIKey of [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium?
The InChIKey is JYXIJEAGRVDAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2IO/c20-15-10-14(11-16(21)12-15)13-23-19-8-6-18(7-9-19)22-17-4-2-1-3-5-17/h1-12H,13H2/q+1.
What are the key properties of [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium?
[4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium has a molecular weight of 423.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-difluorophenyl)methoxy]phenyl]-phenyliodanium is sourced from PubChem (CID 167331521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).