3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol

C20H26O3SSi — CID 10894089

IUPAC3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
SMILESC[Si](C)(C(CCO)c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26O3SSi/c1-25(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)24(22,23)18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3
InChIKeyUDZOJKSVQHVLNC-UHFFFAOYSA-N
MW374.58 g/mol
LogP3.95
Rot. Bonds7

About 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol

3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol (PubChem CID 10894089) has the molecular formula C20H26O3SSi and a molecular weight of 374.58 g/mol. Its IUPAC name is 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
PubChem CID10894089
Molecular FormulaC20H26O3SSi
Molecular Weight374.58 g/mol
Exact Mass374.14
IUPAC Name3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
SMILESC[Si](C)(C(CCO)c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26O3SSi/c1-25(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)24(22,23)18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3
InChIKeyUDZOJKSVQHVLNC-UHFFFAOYSA-N
XLogP3.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol 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

5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
3-Phenyl-4-(trimethylsilyl)-3-butenyl 4-methylbenzenesulfonate
CID 5386719
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715
(2S)-2-[(4-fluorophenyl)sulfonyl-phenylmethyl]butan-1-ol
CID 164685184
3-[Dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
CID 11759668
(1S,2R)-3-(benzenesulfonyl)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 134931126
2-(Benzenesulfonyl)-2-phenylethanol
CID 90078990
3-(Benzenesulfonyl)-3-methyl-1-(2-phenylethyl)cyclobutan-1-ol
CID 71411129
(2S)-2-(4-methylphenyl)sulfonyl-2-phenylethanol
CID 102034256
(2S)-2-(benzenesulfonyl)-2-phenylethanol
CID 102034260
2-(4-Methylphenyl)sulfonyl-3-phenylpropan-1-ol
CID 102528480
(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
CID 132580999

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol?
The IUPAC name of 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol (CID 10894089) is 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol is C[Si](C)(C(CCO)c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol?
The InChIKey is UDZOJKSVQHVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3SSi/c1-25(2,19(13-16-21)17-9-5-3-6-10-17)20(14-15-20)24(22,23)18-11-7-4-8-12-18/h3-12,19,21H,13-16H2,1-2H3.
What are the key properties of 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol?
3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol has a molecular weight of 374.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 10894089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).