CID 172627144

C13H8I2O2Si — CID 172627144

IUPAC—
SMILES[Si]=C(Oc1ccccc1I)Oc1ccccc1I
InChIInChI=1S/C13H8I2O2Si/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H
InChIKeyOFOSAJPMYNCQBK-UHFFFAOYSA-N
MW478.10 g/mol
LogP3.61
Rot. Bonds4

About CID 172627144

CID 172627144 (PubChem CID 172627144) has the molecular formula C13H8I2O2Si and a molecular weight of 478.10 g/mol.

Molecular Properties

Compound NameCID 172627144
PubChem CID172627144
Molecular FormulaC13H8I2O2Si
Molecular Weight478.10 g/mol
Exact Mass477.84
IUPAC Name—
SMILES[Si]=C(Oc1ccccc1I)Oc1ccccc1I
InChIInChI=1S/C13H8I2O2Si/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H
InChIKeyOFOSAJPMYNCQBK-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroperoxy-2-iodobenzene
CID 164852676
(2-iodophenyl) methyl carbonate
CID 102340361
1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene
CID 135075414
(2-iodophenyl) 4-iodobenzoate
CID 125485845
(2-iodophenyl) 3-bromopropanoate
CID 102051950
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
(2-iodophenyl) 4-bromobenzoate
CID 11211820
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
4-O-(2-iodophenyl) 1-O-[2-(trifluoromethyl)phenyl] benzene-1,4-dicarboxylate
CID 20540489
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671

Frequently Asked Questions

What is the IUPAC name of CID 172627144?
The IUPAC name of CID 172627144 (CID 172627144) is not available.
What is the SMILES notation for CID 172627144?
The canonical SMILES for CID 172627144 is [Si]=C(Oc1ccccc1I)Oc1ccccc1I.
What is the InChIKey of CID 172627144?
The InChIKey is OFOSAJPMYNCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8I2O2Si/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H.
What are the key properties of CID 172627144?
CID 172627144 has a molecular weight of 478.10 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172627144 is sourced from PubChem (CID 172627144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).