[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone

C25H32ClNO3Si — CID 11641115

IUPAC[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCO[Si](C)(C)C(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClNO3Si/c1-17-21(14-15-30-31(6,7)25(2,3)4)22-16-20(29-5)12-13-23(22)27(17)24(28)18-8-10-19(26)11-9-18/h8-13,16H,14-15H2,1-7H3
InChIKeyMSPSIXIPPZFXQA-UHFFFAOYSA-N
MW458.07 g/mol
LogP6.86
Rot. Bonds6

About [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone

[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone (PubChem CID 11641115) has the molecular formula C25H32ClNO3Si and a molecular weight of 458.07 g/mol. Its IUPAC name is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
PubChem CID11641115
Molecular FormulaC25H32ClNO3Si
Molecular Weight458.07 g/mol
Exact Mass457.18
IUPAC Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
SMILESCOc1ccc2c(c1)c(CCO[Si](C)(C)C(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClNO3Si/c1-17-21(14-15-30-31(6,7)25(2,3)4)22-16-20(29-5)12-13-23(22)27(17)24(28)18-8-10-19(26)11-9-18/h8-13,16H,14-15H2,1-7H3
InChIKeyMSPSIXIPPZFXQA-UHFFFAOYSA-N
XLogP6.86
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.07
LogP ≤ 56.86
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

(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
tert-butyl [2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10840575
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356
(4-chlorophenyl)-[3-(2,3-dihydroxypropyl)-5-methoxy-2-methylindol-1-yl]methanone
CID 154158103
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
1-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1-hydroxy-3-methylurea
CID 15027397
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051

Frequently Asked Questions

What is the IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone (CID 11641115) is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone is COc1ccc2c(c1)c(CCO[Si](C)(C)C(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is MSPSIXIPPZFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClNO3Si/c1-17-21(14-15-30-31(6,7)25(2,3)4)22-16-20(29-5)12-13-23(22)27(17)24(28)18-8-10-19(26)11-9-18/h8-13,16H,14-15H2,1-7H3.
What are the key properties of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone?
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 458.07 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 11641115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).