ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate

C38H39NO5Si — CID 156828947

IUPACethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate
SMILESCCOC(=O)c1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccccc4[nH]3)oc2c1
InChIInChI=1S/C38H39NO5Si/c1-6-42-37(40)27-24-33(41-5)35-30(36(44-34(35)25-27)32-23-26-15-13-14-20-31(26)39-32)21-22-43-45(38(2,3)4,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-20,23-25,39H,6,21-22H2,1-5H3
InChIKeyJQVNHHNZQROEEC-UHFFFAOYSA-N
MW617.82 g/mol
LogP7.89
Rot. Bonds10

About ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate

ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate (PubChem CID 156828947) has the molecular formula C38H39NO5Si and a molecular weight of 617.82 g/mol. Its IUPAC name is ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate
PubChem CID156828947
Molecular FormulaC38H39NO5Si
Molecular Weight617.82 g/mol
Exact Mass617.26
IUPAC Nameethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate
SMILESCCOC(=O)c1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccccc4[nH]3)oc2c1
InChIInChI=1S/C38H39NO5Si/c1-6-42-37(40)27-24-33(41-5)35-30(36(44-34(35)25-27)32-23-26-15-13-14-20-31(26)39-32)21-22-43-45(38(2,3)4,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-20,23-25,39H,6,21-22H2,1-5H3
InChIKeyJQVNHHNZQROEEC-UHFFFAOYSA-N
XLogP7.89
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.82
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate with MolForge

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Related Compounds

tert-butyl-[2-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-6-ethyl-4-methoxy-1-benzofuran-3-yl]ethoxy]-diphenylsilane
CID 168765966
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-diethoxyphosphanyloxyoxolan-3-yl] 3,4,5-trimethoxybenzoate
CID 11115123
5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid
CID 153321677
1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
CID 10555524
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
CID 155592823
2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-ethyl-3,5-dimethylpyran-4-one
CID 102383328

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate?
The IUPAC name of ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate (CID 156828947) is ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate.
What is the SMILES notation for ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate?
The canonical SMILES for ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate is CCOC(=O)c1cc(OC)c2c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(-c3cc4ccccc4[nH]3)oc2c1.
What is the InChIKey of ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate?
The InChIKey is JQVNHHNZQROEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NO5Si/c1-6-42-37(40)27-24-33(41-5)35-30(36(44-34(35)25-27)32-23-26-15-13-14-20-31(26)39-32)21-22-43-45(38(2,3)4,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-20,23-25,39H,6,21-22H2,1-5H3.
What are the key properties of ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate?
ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate has a molecular weight of 617.82 g/mol, XLogP of 7.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1H-indol-2-yl)-4-methoxy-1-benzofuran-6-carboxylate is sourced from PubChem (CID 156828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).