[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol

C30H40O6SSi — CID 11135454

IUPAC[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(CS(=O)(=O)CCO[Si](C)(C)C(C)(C)C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H40O6SSi/c1-29(2,3)38(6,7)36-20-21-37(32,33)22-23-8-10-24(11-9-23)30(31,25-12-16-27(34-4)17-13-25)26-14-18-28(35-5)19-15-26/h8-19,31H,20-22H2,1-7H3
InChIKeyODWAGXHQZWDDGD-UHFFFAOYSA-N
MW556.80 g/mol
LogP5.92
Rot. Bonds11

About [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol

[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol (PubChem CID 11135454) has the molecular formula C30H40O6SSi and a molecular weight of 556.80 g/mol. Its IUPAC name is [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol
PubChem CID11135454
Molecular FormulaC30H40O6SSi
Molecular Weight556.80 g/mol
Exact Mass556.23
IUPAC Name[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(CS(=O)(=O)CCO[Si](C)(C)C(C)(C)C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H40O6SSi/c1-29(2,3)38(6,7)36-20-21-37(32,33)22-23-8-10-24(11-9-23)30(31,25-12-16-27(34-4)17-13-25)26-14-18-28(35-5)19-15-26/h8-19,31H,20-22H2,1-7H3
InChIKeyODWAGXHQZWDDGD-UHFFFAOYSA-N
XLogP5.92
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.80
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
CID 1474364
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]hexan-2-one
CID 25191553
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 90743223
tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane
CID 69222386
1-(2-methoxyethylsulfonylmethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 86812646
7-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]hept-2-yn-4-one
CID 23242869
4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
CID 66002453
1-(dimethoxyphosphorylmethylsulfonylmethyl)-4-methoxybenzene
CID 21323907
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767

Frequently Asked Questions

What is the IUPAC name of [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol?
The IUPAC name of [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol (CID 11135454) is [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol?
The canonical SMILES for [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol is COc1ccc(C(O)(c2ccc(CS(=O)(=O)CCO[Si](C)(C)C(C)(C)C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol?
The InChIKey is ODWAGXHQZWDDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O6SSi/c1-29(2,3)38(6,7)36-20-21-37(32,33)22-23-8-10-24(11-9-23)30(31,25-12-16-27(34-4)17-13-25)26-14-18-28(35-5)19-15-26/h8-19,31H,20-22H2,1-7H3.
What are the key properties of [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol?
[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol has a molecular weight of 556.80 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonylmethyl]phenyl]-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 11135454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).