2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol

C24H27BrO2Si — CID 91481130

IUPAC2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol
SMILESCC(C)(C)[Si](OC(O)Cc1ccccc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrO2Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-23(26)18-19-12-10-11-17-22(19)25/h4-17,23,26H,18H2,1-3H3
InChIKeyWHGPTLDRFRDMOV-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.89
Rot. Bonds6

About 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol

2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol (PubChem CID 91481130) has the molecular formula C24H27BrO2Si and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol
PubChem CID91481130
Molecular FormulaC24H27BrO2Si
Molecular Weight455.47 g/mol
Exact Mass454.10
IUPAC Name2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol
SMILESCC(C)(C)[Si](OC(O)Cc1ccccc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrO2Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-23(26)18-19-12-10-11-17-22(19)25/h4-17,23,26H,18H2,1-3H3
InChIKeyWHGPTLDRFRDMOV-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol?
The IUPAC name of 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol (CID 91481130) is 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol is CC(C)(C)[Si](OC(O)Cc1ccccc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol?
The InChIKey is WHGPTLDRFRDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrO2Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-23(26)18-19-12-10-11-17-22(19)25/h4-17,23,26H,18H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol?
2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol has a molecular weight of 455.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol is sourced from PubChem (CID 91481130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).