1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one

C23H32O4Si — CID 154718984

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-19-12-8-17(9-13-19)21(24)15-11-18-10-14-20(25-4)16-22(18)26-5/h8-10,12-14,16H,11,15H2,1-7H3
InChIKeyRZEQBVGUIOBPJZ-UHFFFAOYSA-N
MW400.59 g/mol
LogP5.90
Rot. Bonds8

About 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one (PubChem CID 154718984) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
PubChem CID154718984
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-19-12-8-17(9-13-19)21(24)15-11-18-10-14-20(25-4)16-22(18)26-5/h8-10,12-14,16H,11,15H2,1-7H3
InChIKeyRZEQBVGUIOBPJZ-UHFFFAOYSA-N
XLogP5.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
methyl 3-[2-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]-4-bromobenzoate
CID 140840729
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
CID 18443665
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
CID 146163201
N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride
CID 10762555
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
2-(2,4-dimethoxyphenyl)ethanesulfinic acid
CID 68550384
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one (CID 154718984) is 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one?
The InChIKey is RZEQBVGUIOBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-19-12-8-17(9-13-19)21(24)15-11-18-10-14-20(25-4)16-22(18)26-5/h8-10,12-14,16H,11,15H2,1-7H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one?
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one has a molecular weight of 400.59 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 154718984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).