1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone

C41H43NO4Si — CID 174067675

IUPAC1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone
SMILESCOc1cc(C(C)=O)cc2oc(-c3cc4ccccc4n3CC3CC3)c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c12
InChIInChI=1S/C41H43NO4Si/c1-28(43)31-25-37(44-5)39-34(22-23-45-47(41(2,3)4,32-15-8-6-9-16-32)33-17-10-7-11-18-33)40(46-38(39)26-31)36-24-30-14-12-13-19-35(30)42(36)27-29-20-21-29/h6-19,24-26,29H,20-23,27H2,1-5H3
InChIKeyDVCZNILNUCZCKJ-UHFFFAOYSA-N
MW641.88 g/mol
LogP8.79
Rot. Bonds11

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

1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone (PubChem CID 174067675) has the molecular formula C41H43NO4Si and a molecular weight of 641.88 g/mol. Its IUPAC name is 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone
PubChem CID174067675
Molecular FormulaC41H43NO4Si
Molecular Weight641.88 g/mol
Exact Mass641.30
IUPAC Name1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone
SMILESCOc1cc(C(C)=O)cc2oc(-c3cc4ccccc4n3CC3CC3)c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c12
InChIInChI=1S/C41H43NO4Si/c1-28(43)31-25-37(44-5)39-34(22-23-45-47(41(2,3)4,32-15-8-6-9-16-32)33-17-10-7-11-18-33)40(46-38(39)26-31)36-24-30-14-12-13-19-35(30)42(36)27-29-20-21-29/h6-19,24-26,29H,20-23,27H2,1-5H3
InChIKeyDVCZNILNUCZCKJ-UHFFFAOYSA-N
XLogP8.79
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.88
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone?
The IUPAC name of 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone (CID 174067675) is 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone?
The canonical SMILES for 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone is COc1cc(C(C)=O)cc2oc(-c3cc4ccccc4n3CC3CC3)c(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c12.
What is the InChIKey of 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone?
The InChIKey is DVCZNILNUCZCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43NO4Si/c1-28(43)31-25-37(44-5)39-34(22-23-45-47(41(2,3)4,32-15-8-6-9-16-32)33-17-10-7-11-18-33)40(46-38(39)26-31)36-24-30-14-12-13-19-35(30)42(36)27-29-20-21-29/h6-19,24-26,29H,20-23,27H2,1-5H3.
What are the key properties of 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone?
1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone has a molecular weight of 641.88 g/mol, XLogP of 8.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-1-benzofuran-6-yl]ethanone is sourced from PubChem (CID 174067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).