[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol

C25H37BrO2Si — CID 86714070

IUPAC[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C25H37BrO2Si/c1-8-20-9-11-21(12-10-20)25(27)24-15-23(26)14-13-22(24)16-28-29(17(2)3,18(4)5)19(6)7/h9-15,17-19,25,27H,8,16H2,1-7H3
InChIKeyHCRJUCZAJJDSNE-UHFFFAOYSA-N
MW477.56 g/mol
LogP7.79
Rot. Bonds9

About [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol

[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol (PubChem CID 86714070) has the molecular formula C25H37BrO2Si and a molecular weight of 477.56 g/mol. Its IUPAC name is [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol
PubChem CID86714070
Molecular FormulaC25H37BrO2Si
Molecular Weight477.56 g/mol
Exact Mass476.17
IUPAC Name[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C25H37BrO2Si/c1-8-20-9-11-21(12-10-20)25(27)24-15-23(26)14-13-22(24)16-28-29(17(2)3,18(4)5)19(6)7/h9-15,17-19,25,27H,8,16H2,1-7H3
InChIKeyHCRJUCZAJJDSNE-UHFFFAOYSA-N
XLogP7.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 57.79
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-(4-Bromophenyl)phenyl]hexane-1,6-diol
CID 11233364
[4-Bromo-2-[[2-(hydroxymethyl)phenyl]methyl]phenyl]methanol
CID 11278213
1-[4-(4-Bromophenyl)phenyl]ethanol
CID 245806
4,4'-Dibromo-2,2'-bis-hydroxymethyl-biphenyl
CID 11372175
1,4-Bis(4-bromophenyl)butane-1,4-diol
CID 11463722
[4-Bromo-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 10215032
1-[4-(4-Bromo-2-fluorophenyl)phenyl]hexane-1,6-diol
CID 11176056
1-[4-Bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol
CID 20741966
[5-Bromo-2-(2-methylphenyl)phenyl]-(2-fluorophenyl)methanol
CID 54143892
(5-Bromo-2-fluoro-phenyl)-{4-[(triisopropylsilyl)-ethynyl]-phenyl}methanol
CID 57809581
[5-Bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 58178558
(2-Bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol
CID 139494007

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol?
The IUPAC name of [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol (CID 86714070) is [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol.
What is the SMILES notation for [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol?
The canonical SMILES for [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)ccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol?
The InChIKey is HCRJUCZAJJDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37BrO2Si/c1-8-20-9-11-21(12-10-20)25(27)24-15-23(26)14-13-22(24)16-28-29(17(2)3,18(4)5)19(6)7/h9-15,17-19,25,27H,8,16H2,1-7H3.
What are the key properties of [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol?
[5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol has a molecular weight of 477.56 g/mol, XLogP of 7.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[tri(propan-2-yl)silyloxymethyl]phenyl]-(4-ethylphenyl)methanol is sourced from PubChem (CID 86714070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).