(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol

C19H24O2SSi — CID 11057075

IUPAC(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol
SMILESCc1ccc([S@](=O)/C(=C/[Si](C)(C)C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2SSi/c1-15-10-12-17(13-11-15)22(21)18(14-23(2,3)4)19(20)16-8-6-5-7-9-16/h5-14,19-20H,1-4H3/b18-14+/t19-,22-/m0/s1
InChIKeyBOHVPEDJEILETH-OZHIUDEQSA-N
MW344.55 g/mol
LogP4.60
Rot. Bonds5

About (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol

(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol (PubChem CID 11057075) has the molecular formula C19H24O2SSi and a molecular weight of 344.55 g/mol. Its IUPAC name is (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol
PubChem CID11057075
Molecular FormulaC19H24O2SSi
Molecular Weight344.55 g/mol
Exact Mass344.13
IUPAC Name(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol
SMILESCc1ccc([S@](=O)/C(=C/[Si](C)(C)C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2SSi/c1-15-10-12-17(13-11-15)22(21)18(14-23(2,3)4)19(20)16-8-6-5-7-9-16/h5-14,19-20H,1-4H3/b18-14+/t19-,22-/m0/s1
InChIKeyBOHVPEDJEILETH-OZHIUDEQSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 54.60
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

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
2,2-Difluoro-1-phenyl-2-phenylsulfonylethanol
CID 14291989
p-(Phenylthio)benzyl alcohol
CID 80593
1-[4-(4-Methylsulfanylphenyl)phenyl]hexane-1,6-diol
CID 49866166
(1S)-1-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 56676498
(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-[4-(trimethylsilylmethylsulfanyl)phenyl]methanol
CID 162661760
Phenyl[2-(phenylsulfonyl)phenyl]methanol
CID 555704

Frequently Asked Questions

What is the IUPAC name of (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol?
The IUPAC name of (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol (CID 11057075) is (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol.
What is the SMILES notation for (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol?
The canonical SMILES for (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol is Cc1ccc([S@](=O)/C(=C/[Si](C)(C)C)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol?
The InChIKey is BOHVPEDJEILETH-OZHIUDEQSA-N. The full InChI is InChI=1S/C19H24O2SSi/c1-15-10-12-17(13-11-15)22(21)18(14-23(2,3)4)19(20)16-8-6-5-7-9-16/h5-14,19-20H,1-4H3/b18-14+/t19-,22-/m0/s1.
What are the key properties of (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol?
(E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol has a molecular weight of 344.55 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol is sourced from PubChem (CID 11057075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).