1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol

C35H42O3Si — CID 54001098

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
SMILESCCC(c1ccccc1)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H42O3Si/c1-7-33(28-16-12-9-13-17-28)35(36,30-20-24-32(25-21-30)38-39(5,6)34(2,3)4)29-18-22-31(23-19-29)37-26-27-14-10-8-11-15-27/h8-25,33,36H,7,26H2,1-6H3
InChIKeyKLRAYFSKKAZGPU-UHFFFAOYSA-N
MW538.80 g/mol
LogP9.08
Rot. Bonds10

About 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol (PubChem CID 54001098) has the molecular formula C35H42O3Si and a molecular weight of 538.80 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
PubChem CID54001098
Molecular FormulaC35H42O3Si
Molecular Weight538.80 g/mol
Exact Mass538.29
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
SMILESCCC(c1ccccc1)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C35H42O3Si/c1-7-33(28-16-12-9-13-17-28)35(36,30-20-24-32(25-21-30)38-39(5,6)34(2,3)4)29-18-22-31(23-19-29)37-26-27-14-10-8-11-15-27/h8-25,33,36H,7,26H2,1-6H3
InChIKeyKLRAYFSKKAZGPU-UHFFFAOYSA-N
XLogP9.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.80
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 11387547
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
1,2-diphenyl-1-[4-[2-(2-phenylmethoxyethoxy)ethoxy]phenyl]butane-1,4-diol
CID 11226026
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
CID 68838926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol (CID 54001098) is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol is CCC(c1ccccc1)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is KLRAYFSKKAZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42O3Si/c1-7-33(28-16-12-9-13-17-28)35(36,30-20-24-32(25-21-30)38-39(5,6)34(2,3)4)29-18-22-31(23-19-29)37-26-27-14-10-8-11-15-27/h8-25,33,36H,7,26H2,1-6H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol?
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 538.80 g/mol, XLogP of 9.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 54001098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).