(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol

C14H22ClFO2Si — CID 86696653

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H22ClFO2Si/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-12(16)11(15)8-10/h6-8,13,17H,9H2,1-5H3/t13-/m0/s1
InChIKeyGXYQYXAODIAERV-ZDUSSCGKSA-N
MW304.87 g/mol
LogP4.53
Rot. Bonds4

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 86696653) has the molecular formula C14H22ClFO2Si and a molecular weight of 304.87 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol
PubChem CID86696653
Molecular FormulaC14H22ClFO2Si
Molecular Weight304.87 g/mol
Exact Mass304.11
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H22ClFO2Si/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-12(16)11(15)8-10/h6-8,13,17H,9H2,1-5H3/t13-/m0/s1
InChIKeyGXYQYXAODIAERV-ZDUSSCGKSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)ethane-1,2-diol
CID 101107
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
(1S)-1-(3-chlorophenyl)ethan-1-ol
CID 6950741
(1R)-1-(4-chlorophenyl)ethane-1,2-diol
CID 9793974
1-(3-Chlorophenyl)-2,2,2-trifluoroethanol
CID 12184802
1-(3-Chlorophenyl)undeca-2,4-diyne-1,6-diol
CID 142726634
1-(3-Chlorophenyl)nona-2,4-diyne-1,6-diol
CID 142726645
1-(3-Chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol
CID 142726649
3-Chloro-alpha-methylbenzenemethanol
CID 97779
(1S)-1-(3-chlorophenyl)propan-1-ol
CID 11116501
(1R)-1-(3-chlorophenyl)ethan-1-ol
CID 6950742

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol (CID 86696653) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol is CC(C)(C)[Si](C)(C)OC[C@H](O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is GXYQYXAODIAERV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22ClFO2Si/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-12(16)11(15)8-10/h6-8,13,17H,9H2,1-5H3/t13-/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 304.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 86696653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).