2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone

C23H32O3SSi — CID 67277297

IUPAC2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)CSc2ccccc2O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3SSi/c1-16(2)28(17(3)4,18(5)6)26-20-13-11-19(12-14-20)22(25)15-27-23-10-8-7-9-21(23)24/h7-14,16-18,24H,15H2,1-6H3
InChIKeyNLCUTYRASMYQOO-UHFFFAOYSA-N
MW416.66 g/mol
LogP6.92
Rot. Bonds9

About 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone

2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone (PubChem CID 67277297) has the molecular formula C23H32O3SSi and a molecular weight of 416.66 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
PubChem CID67277297
Molecular FormulaC23H32O3SSi
Molecular Weight416.66 g/mol
Exact Mass416.18
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)CSc2ccccc2O)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3SSi/c1-16(2)28(17(3)4,18(5)6)26-20-13-11-19(12-14-20)22(25)15-27-23-10-8-7-9-21(23)24/h7-14,16-18,24H,15H2,1-6H3
InChIKeyNLCUTYRASMYQOO-UHFFFAOYSA-N
XLogP6.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate
CID 58743063
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 61292075
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057
(NE)-N-[1-[4-tri(propan-2-yl)silyloxyphenyl]ethylidene]hydroxylamine
CID 59857604
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 112781068
3-ethyl-1,2-bis(4-methoxyphenyl)-4-[4-tri(propan-2-yl)silyloxyphenyl]butane-1,4-dione
CID 101121470
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 2198262
4-[2-(2-methoxyphenyl)sulfanylacetyl]benzonitrile
CID 61290551

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone (CID 67277297) is 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone is CC(C)[Si](Oc1ccc(C(=O)CSc2ccccc2O)cc1)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The InChIKey is NLCUTYRASMYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3SSi/c1-16(2)28(17(3)4,18(5)6)26-20-13-11-19(12-14-20)22(25)15-27-23-10-8-7-9-21(23)24/h7-14,16-18,24H,15H2,1-6H3.
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone?
2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone has a molecular weight of 416.66 g/mol, XLogP of 6.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone is sourced from PubChem (CID 67277297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).