[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol

C22H34O3SSi2 — CID 135019001

IUPAC[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol
SMILESC[Si](C)(C)CC(C[Si](C)(C)C)S(=O)(=O)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C22H34O3SSi2/c1-27(2,3)16-19(17-28(4,5)6)26(24,25)21-15-11-10-14-20(21)22(23)18-12-8-7-9-13-18/h7-15,19,22-23H,16-17H2,1-6H3
InChIKeyMYGATAPGHNADMQ-UHFFFAOYSA-N
MW434.75 g/mol
LogP5.59
Rot. Bonds8

About [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol

[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol (PubChem CID 135019001) has the molecular formula C22H34O3SSi2 and a molecular weight of 434.75 g/mol. Its IUPAC name is [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol
PubChem CID135019001
Molecular FormulaC22H34O3SSi2
Molecular Weight434.75 g/mol
Exact Mass434.18
IUPAC Name[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol
SMILESC[Si](C)(C)CC(C[Si](C)(C)C)S(=O)(=O)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C22H34O3SSi2/c1-27(2,3)16-19(17-28(4,5)6)26(24,25)21-15-11-10-14-20(21)22(23)18-12-8-7-9-13-18/h7-15,19,22-23H,16-17H2,1-6H3
InChIKeyMYGATAPGHNADMQ-UHFFFAOYSA-N
XLogP5.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
2-(Benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
Phenyl[2-(phenylsulfonyl)phenyl]methanol
CID 555704
9H-thioxanthen-9-ol 10,10-dioxide
CID 12761425
(S)-1-Phenyl-2-(phenylsulfonyl)ethanol
CID 11184587
(1R)-2-(benzenesulfonyl)-1-phenylethanol
CID 12495322
1-[(4-Methylphenyl)sulfonyl]-2-phenylpropan-2-ol
CID 15850358
(1R)-2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 100972719
(5S)-5-Hydroxy-2,3,4,5-tetrahydro-1lambda6-benzothiepine-1,1-dione
CID 40559816
(4R)-4-hydroxy-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
CID 47003491
(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883
2-(Benzenesulfonyl)-2-fluoro-1-phenylethanol
CID 13460265

Frequently Asked Questions

What is the IUPAC name of [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol?
The IUPAC name of [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol (CID 135019001) is [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol.
What is the SMILES notation for [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol?
The canonical SMILES for [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol is C[Si](C)(C)CC(C[Si](C)(C)C)S(=O)(=O)c1ccccc1C(O)c1ccccc1.
What is the InChIKey of [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol?
The InChIKey is MYGATAPGHNADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3SSi2/c1-27(2,3)16-19(17-28(4,5)6)26(24,25)21-15-11-10-14-20(21)22(23)18-12-8-7-9-13-18/h7-15,19,22-23H,16-17H2,1-6H3.
What are the key properties of [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol?
[2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol has a molecular weight of 434.75 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,3-bis(trimethylsilyl)propan-2-ylsulfonyl]phenyl]-phenylmethanol is sourced from PubChem (CID 135019001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).