[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol

C14H22Cl2O2Si — CID 14687069

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C14H22Cl2O2Si/c1-14(2,3)19(4,5)18-9-11-7-13(16)12(15)6-10(11)8-17/h6-7,17H,8-9H2,1-5H3
InChIKeyUUNMNUSULFGIMN-UHFFFAOYSA-N
MW321.32 g/mol
LogP5.01
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol (PubChem CID 14687069) has the molecular formula C14H22Cl2O2Si and a molecular weight of 321.32 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol
PubChem CID14687069
Molecular FormulaC14H22Cl2O2Si
Molecular Weight321.32 g/mol
Exact Mass320.08
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cc(Cl)c(Cl)cc1CO
InChIInChI=1S/C14H22Cl2O2Si/c1-14(2,3)19(4,5)18-9-11-7-13(16)12(15)6-10(11)8-17/h6-7,17H,8-9H2,1-5H3
InChIKeyUUNMNUSULFGIMN-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.32
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol (CID 14687069) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol is CC(C)(C)[Si](C)(C)OCc1cc(Cl)c(Cl)cc1CO.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol?
The InChIKey is UUNMNUSULFGIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2O2Si/c1-14(2,3)19(4,5)18-9-11-7-13(16)12(15)6-10(11)8-17/h6-7,17H,8-9H2,1-5H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol has a molecular weight of 321.32 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol is sourced from PubChem (CID 14687069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).