CID 174070763

C10H15O3Si — CID 174070763

IUPAC—
SMILESC[Si](O)CCCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15O3Si/c1-14(13)6-2-3-8-4-5-9(11)10(12)7-8/h4-5,7,11-13H,2-3,6H2,1H3
InChIKeyMDJSQWUIBFSLAI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.64
Rot. Bonds4

About CID 174070763

CID 174070763 (PubChem CID 174070763) has the molecular formula C10H15O3Si and a molecular weight of 211.31 g/mol.

Molecular Properties

Compound NameCID 174070763
PubChem CID174070763
Molecular FormulaC10H15O3Si
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name—
SMILESC[Si](O)CCCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15O3Si/c1-14(13)6-2-3-8-4-5-9(11)10(12)7-8/h4-5,7,11-13H,2-3,6H2,1H3
InChIKeyMDJSQWUIBFSLAI-UHFFFAOYSA-N
XLogP1.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 174070763 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 140580608
CID 140580608
4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
4-butylbenzene-1,2-diol;phenol
CID 170169190
4-[4-(tert-butylamino)butyl]benzene-1,2-diol;hydrobromide
CID 71379239
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
4-[4-(3,4-dihydroxyphenyl)-4-hydroxybutyl]benzene-1,2-diol
CID 57005923
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477

Frequently Asked Questions

What is the IUPAC name of CID 174070763?
The IUPAC name of CID 174070763 (CID 174070763) is not available.
What is the SMILES notation for CID 174070763?
The canonical SMILES for CID 174070763 is C[Si](O)CCCc1ccc(O)c(O)c1.
What is the InChIKey of CID 174070763?
The InChIKey is MDJSQWUIBFSLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3Si/c1-14(13)6-2-3-8-4-5-9(11)10(12)7-8/h4-5,7,11-13H,2-3,6H2,1H3.
What are the key properties of CID 174070763?
CID 174070763 has a molecular weight of 211.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174070763 is sourced from PubChem (CID 174070763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).