1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol

C17H28BrFO2Si — CID 70979667

IUPAC1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
SMILESCC(O)c1cc(Br)cc(F)c1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H28BrFO2Si/c1-10(2)22(11(3)4,12(5)6)21-17-15(13(7)20)8-14(18)9-16(17)19/h8-13,20H,1-7H3
InChIKeyIREZYYZJPUJEDA-UHFFFAOYSA-N
MW391.40 g/mol
LogP6.20
Rot. Bonds6

About 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol

1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol (PubChem CID 70979667) has the molecular formula C17H28BrFO2Si and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
PubChem CID70979667
Molecular FormulaC17H28BrFO2Si
Molecular Weight391.40 g/mol
Exact Mass390.10
IUPAC Name1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
SMILESCC(O)c1cc(Br)cc(F)c1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H28BrFO2Si/c1-10(2)22(11(3)4,12(5)6)21-17-15(13(7)20)8-14(18)9-16(17)19/h8-13,20H,1-7H3
InChIKeyIREZYYZJPUJEDA-UHFFFAOYSA-N
XLogP6.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.20
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-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
CID 172541656
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
CID 172541669
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 173235319
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
CID 84681646
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol?
The IUPAC name of 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol (CID 70979667) is 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol is CC(O)c1cc(Br)cc(F)c1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol?
The InChIKey is IREZYYZJPUJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrFO2Si/c1-10(2)22(11(3)4,12(5)6)21-17-15(13(7)20)8-14(18)9-16(17)19/h8-13,20H,1-7H3.
What are the key properties of 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol?
1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol has a molecular weight of 391.40 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol is sourced from PubChem (CID 70979667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).