3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol

C15H25ClO2Si — CID 175118299

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCO)c(Cl)c1
InChIInChI=1S/C15H25ClO2Si/c1-15(2,3)19(4,5)18-13-9-8-12(7-6-10-17)14(16)11-13/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeySSQNWXGRUYXTER-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.65
Rot. Bonds5

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol

3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol (PubChem CID 175118299) has the molecular formula C15H25ClO2Si and a molecular weight of 300.90 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
PubChem CID175118299
Molecular FormulaC15H25ClO2Si
Molecular Weight300.90 g/mol
Exact Mass300.13
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCO)c(Cl)c1
InChIInChI=1S/C15H25ClO2Si/c1-15(2,3)19(4,5)18-13-9-8-12(7-6-10-17)14(16)11-13/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeySSQNWXGRUYXTER-UHFFFAOYSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.65
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 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol (CID 175118299) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol is CC(C)(C)[Si](C)(C)Oc1ccc(CCCO)c(Cl)c1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol?
The InChIKey is SSQNWXGRUYXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si/c1-15(2,3)19(4,5)18-13-9-8-12(7-6-10-17)14(16)11-13/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol?
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol has a molecular weight of 300.90 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol is sourced from PubChem (CID 175118299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).