(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate

C26H38O6SSi — CID 59536968

IUPAC(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
SMILESCCO[Si](CCCSC(CC(=O)OCc1ccc(OC)cc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C26H38O6SSi/c1-5-30-34(31-6-2,32-7-3)19-11-18-33-25(23-12-9-8-10-13-23)20-26(27)29-21-22-14-16-24(28-4)17-15-22/h8-10,12-17,25H,5-7,11,18-21H2,1-4H3
InChIKeyGZTQHIPZYIDBQI-UHFFFAOYSA-N
MW506.74 g/mol
LogP6.04
Rot. Bonds17

About (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate

(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate (PubChem CID 59536968) has the molecular formula C26H38O6SSi and a molecular weight of 506.74 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
PubChem CID59536968
Molecular FormulaC26H38O6SSi
Molecular Weight506.74 g/mol
Exact Mass506.22
IUPAC Name(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
SMILESCCO[Si](CCCSC(CC(=O)OCc1ccc(OC)cc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C26H38O6SSi/c1-5-30-34(31-6-2,32-7-3)19-11-18-33-25(23-12-9-8-10-13-23)20-26(27)29-21-22-14-16-24(28-4)17-15-22/h8-10,12-17,25H,5-7,11,18-21H2,1-4H3
InChIKeyGZTQHIPZYIDBQI-UHFFFAOYSA-N
XLogP6.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[phenyl(3-triethoxysilylpropylsulfanyl)methyl]propanedioate
CID 59305888
ethyl 3-ethylsulfanyl-3-phenylpropanoate
CID 12663216
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038
1-O,1-O-dibenzyl 2-O,3-O-bis[(4-methoxyphenyl)methyl] (2R)-propane-1,1,2,3-tetracarboxylate
CID 177420239
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
3-benzylsulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 86240848
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276
[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 20771518
(4-methoxyphenyl)methyl 2-phenylsulfanylbutanoate
CID 15953553
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate (CID 59536968) is (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate is CCO[Si](CCCSC(CC(=O)OCc1ccc(OC)cc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate?
The InChIKey is GZTQHIPZYIDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O6SSi/c1-5-30-34(31-6-2,32-7-3)19-11-18-33-25(23-12-9-8-10-13-23)20-26(27)29-21-22-14-16-24(28-4)17-15-22/h8-10,12-17,25H,5-7,11,18-21H2,1-4H3.
What are the key properties of (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate?
(4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate has a molecular weight of 506.74 g/mol, XLogP of 6.04, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-phenyl-3-(3-triethoxysilylpropylsulfanyl)propanoate is sourced from PubChem (CID 59536968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).