CID 155601237

C10H10IO3Si — CID 155601237

IUPAC—
SMILESO=C(OCCC[Si])c1cc(O)ccc1I
InChIInChI=1S/C10H10IO3Si/c11-9-3-2-7(12)6-8(9)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2
InChIKeyBCRNNHGSGBBYQA-UHFFFAOYSA-N
MW333.18 g/mol
LogP2.13
Rot. Bonds4

About CID 155601237

CID 155601237 (PubChem CID 155601237) has the molecular formula C10H10IO3Si and a molecular weight of 333.18 g/mol.

Molecular Properties

Compound NameCID 155601237
PubChem CID155601237
Molecular FormulaC10H10IO3Si
Molecular Weight333.18 g/mol
Exact Mass332.94
IUPAC Name—
SMILESO=C(OCCC[Si])c1cc(O)ccc1I
InChIInChI=1S/C10H10IO3Si/c11-9-3-2-7(12)6-8(9)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2
InChIKeyBCRNNHGSGBBYQA-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 155601237 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 155601461
CID 155601461
ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
propyl 5-bromo-2-iodobenzoate
CID 78907791
5-hydroxy-2-iodobenzamide;2-iodobenzamide
CID 174940863
3-silylpropyl 3-hydroxy-2-iodobenzoate
CID 162159681
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
3-silylpropyl 2-hydroxy-4-iodobenzoate
CID 162159674
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
3-silylpropyl 2-iodo-4-methylbenzoate
CID 157154881

Frequently Asked Questions

What is the IUPAC name of CID 155601237?
The IUPAC name of CID 155601237 (CID 155601237) is not available.
What is the SMILES notation for CID 155601237?
The canonical SMILES for CID 155601237 is O=C(OCCC[Si])c1cc(O)ccc1I.
What is the InChIKey of CID 155601237?
The InChIKey is BCRNNHGSGBBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IO3Si/c11-9-3-2-7(12)6-8(9)10(13)14-4-1-5-15/h2-3,6,12H,1,4-5H2.
What are the key properties of CID 155601237?
CID 155601237 has a molecular weight of 333.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601237 is sourced from PubChem (CID 155601237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).