CID 87675096

C7H6O3Si — CID 87675096

IUPAC—
SMILESO=COc1cccc(O)c1.[Si]
InChIInChI=1S/C7H6O3.Si/c8-5-10-7-3-1-2-6(9)4-7;/h1-5,9H;
InChIKeyBAAGDTOJIGFLRF-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.55
Rot. Bonds2

About CID 87675096

CID 87675096 (PubChem CID 87675096) has the molecular formula C7H6O3Si and a molecular weight of 166.21 g/mol.

Molecular Properties

Compound NameCID 87675096
PubChem CID87675096
Molecular FormulaC7H6O3Si
Molecular Weight166.21 g/mol
Exact Mass166.01
IUPAC Name—
SMILESO=COc1cccc(O)c1.[Si]
InChIInChI=1S/C7H6O3.Si/c8-5-10-7-3-1-2-6(9)4-7;/h1-5,9H;
InChIKeyBAAGDTOJIGFLRF-UHFFFAOYSA-N
XLogP0.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 87675096 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

(3-formyloxyphenyl) formate
CID 18792339
(3,5-dihydroxyphenyl) formate;phenol
CID 174915254
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
(3-bromophenyl) formate
CID 23207322
(3-formylphenyl) formate
CID 58195323
3-(3-hydroxyphenoxy)propanal
CID 84765037
(3-hydroxy-4-sulfanylphenyl) formate
CID 174696612
benzene-1,2,3-triol;[3-(pentafluoro-λ6-sulfanyl)phenyl] formate
CID 174831737
[3-(tert-butylamino)phenyl] formate
CID 140940937
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139

Frequently Asked Questions

What is the IUPAC name of CID 87675096?
The IUPAC name of CID 87675096 (CID 87675096) is not available.
What is the SMILES notation for CID 87675096?
The canonical SMILES for CID 87675096 is O=COc1cccc(O)c1.[Si].
What is the InChIKey of CID 87675096?
The InChIKey is BAAGDTOJIGFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Si/c8-5-10-7-3-1-2-6(9)4-7;/h1-5,9H;.
What are the key properties of CID 87675096?
CID 87675096 has a molecular weight of 166.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87675096 is sourced from PubChem (CID 87675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).