(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate

C20H26O3Si — CID 19972228

IUPAC(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate
SMILESCCC(c1ccc(C(=O)Oc2ccc(OC)cc2)cc1)[Si](C)(C)C
InChIInChI=1S/C20H26O3Si/c1-6-19(24(3,4)5)15-7-9-16(10-8-15)20(21)23-18-13-11-17(22-2)12-14-18/h7-14,19H,6H2,1-5H3
InChIKeyRMEMMDFFKUWXCH-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.29
Rot. Bonds6

About (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate

(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate (PubChem CID 19972228) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate
PubChem CID19972228
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate
SMILESCCC(c1ccc(C(=O)Oc2ccc(OC)cc2)cc1)[Si](C)(C)C
InChIInChI=1S/C20H26O3Si/c1-6-19(24(3,4)5)15-7-9-16(10-8-15)20(21)23-18-13-11-17(22-2)12-14-18/h7-14,19H,6H2,1-5H3
InChIKeyRMEMMDFFKUWXCH-UHFFFAOYSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
(4-butan-2-yloxycarbonylphenyl) 4-methoxybenzoate
CID 144581628
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
2-(4-methoxybenzoyl)oxybutanoic acid
CID 126720866
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
CID 100957753
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate?
The IUPAC name of (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate (CID 19972228) is (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate is CCC(c1ccc(C(=O)Oc2ccc(OC)cc2)cc1)[Si](C)(C)C.
What is the InChIKey of (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate?
The InChIKey is RMEMMDFFKUWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-6-19(24(3,4)5)15-7-9-16(10-8-15)20(21)23-18-13-11-17(22-2)12-14-18/h7-14,19H,6H2,1-5H3.
What are the key properties of (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate?
(4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate has a molecular weight of 342.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-(1-trimethylsilylpropyl)benzoate is sourced from PubChem (CID 19972228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).