CID 155601419

C8H8IOSi — CID 155601419

IUPAC—
SMILESOc1cccc(I)c1CC[Si]
InChIInChI=1S/C8H8IOSi/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,10H,4-5H2
InChIKeyWELJMZPAGVFOKF-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.13
Rot. Bonds2

About CID 155601419

CID 155601419 (PubChem CID 155601419) has the molecular formula C8H8IOSi and a molecular weight of 275.14 g/mol.

Molecular Properties

Compound NameCID 155601419
PubChem CID155601419
Molecular FormulaC8H8IOSi
Molecular Weight275.14 g/mol
Exact Mass274.94
IUPAC Name—
SMILESOc1cccc(I)c1CC[Si]
InChIInChI=1S/C8H8IOSi/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,10H,4-5H2
InChIKeyWELJMZPAGVFOKF-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 155601419 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155601520
CID 155601520
CID 155601438
CID 155601438
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387063
2-iodophenol
CID 10784
(2,6-diiodophenyl)methanamine
CID 165176750
CID 155601421
CID 155601421
CID 155601525
CID 155601525
3-iodo-2-propylaniline
CID 170306799
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494
2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide
CID 172684004
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743

Frequently Asked Questions

What is the IUPAC name of CID 155601419?
The IUPAC name of CID 155601419 (CID 155601419) is not available.
What is the SMILES notation for CID 155601419?
The canonical SMILES for CID 155601419 is Oc1cccc(I)c1CC[Si].
What is the InChIKey of CID 155601419?
The InChIKey is WELJMZPAGVFOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IOSi/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,10H,4-5H2.
What are the key properties of CID 155601419?
CID 155601419 has a molecular weight of 275.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601419 is sourced from PubChem (CID 155601419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).