3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol

C16H19IOSi — CID 137327408

IUPAC3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(O)cc2CCC[SiH2]I)cc1
InChIInChI=1S/C16H19IOSi/c1-12-4-6-13(7-5-12)16-9-8-15(18)11-14(16)3-2-10-19-17/h4-9,11,18H,2-3,10,19H2,1H3
InChIKeyTWQPIESSNRZFLU-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.24
Rot. Bonds5

About 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol

3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol (PubChem CID 137327408) has the molecular formula C16H19IOSi and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol.

Molecular Properties

Compound Name3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol
PubChem CID137327408
Molecular FormulaC16H19IOSi
Molecular Weight382.32 g/mol
Exact Mass382.02
IUPAC Name3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(O)cc2CCC[SiH2]I)cc1
InChIInChI=1S/C16H19IOSi/c1-12-4-6-13(7-5-12)16-9-8-15(18)11-14(16)3-2-10-19-17/h4-9,11,18H,2-3,10,19H2,1H3
InChIKeyTWQPIESSNRZFLU-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol?
The IUPAC name of 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol (CID 137327408) is 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol.
What is the SMILES notation for 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol?
The canonical SMILES for 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol is Cc1ccc(-c2ccc(O)cc2CCC[SiH2]I)cc1.
What is the InChIKey of 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol?
The InChIKey is TWQPIESSNRZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IOSi/c1-12-4-6-13(7-5-12)16-9-8-15(18)11-14(16)3-2-10-19-17/h4-9,11,18H,2-3,10,19H2,1H3.
What are the key properties of 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol?
3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol has a molecular weight of 382.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodosilylpropyl)-4-(4-methylphenyl)phenol is sourced from PubChem (CID 137327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).