[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate

C25H34O4Si — CID 58743063

IUPAC[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC(=O)c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1
InChIInChI=1S/C25H34O4Si/c1-17(2)30(18(3)4,19(5)6)29-24-14-10-22(11-15-24)25(27)16-21-8-12-23(13-9-21)28-20(7)26/h8-15,17-19H,16H2,1-7H3
InChIKeyUWIOQIANABUCQR-UHFFFAOYSA-N
MW426.63 g/mol
LogP6.59
Rot. Bonds9

About [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate

[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate (PubChem CID 58743063) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate
PubChem CID58743063
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC(=O)c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1
InChIInChI=1S/C25H34O4Si/c1-17(2)30(18(3)4,19(5)6)29-24-14-10-22(11-15-24)25(27)16-21-8-12-23(13-9-21)28-20(7)26/h8-15,17-19H,16H2,1-7H3
InChIKeyUWIOQIANABUCQR-UHFFFAOYSA-N
XLogP6.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
ethane;[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 163399694
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
2-(2-hydroxyphenyl)sulfanyl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 67277297
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
[4-(propan-2-ylsulfanylmethyl)phenyl] acetate
CID 164769807
[3-(4-acetyloxyphenyl)-3-oxopropyl]-diethylazanium
CID 5124276

Frequently Asked Questions

What is the IUPAC name of [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate?
The IUPAC name of [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate (CID 58743063) is [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate.
What is the SMILES notation for [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate?
The canonical SMILES for [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate is CC(=O)Oc1ccc(CC(=O)c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1.
What is the InChIKey of [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate?
The InChIKey is UWIOQIANABUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-17(2)30(18(3)4,19(5)6)29-24-14-10-22(11-15-24)25(27)16-21-8-12-23(13-9-21)28-20(7)26/h8-15,17-19H,16H2,1-7H3.
What are the key properties of [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate?
[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate has a molecular weight of 426.63 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate is sourced from PubChem (CID 58743063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).