(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate

C21H25NO3Si — CID 134906807

IUPAC(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate
SMILESCOc1c(-c2ccccc2)c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c12
InChIInChI=1S/C21H25NO3Si/c1-14(23)25-19-16-12-13-22(2)18(16)20(24-3)17(21(19)26(4,5)6)15-10-8-7-9-11-15/h7-13H,1-6H3
InChIKeyQOAMVVZWGFGOLP-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.32
Rot. Bonds4

About (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate

(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate (PubChem CID 134906807) has the molecular formula C21H25NO3Si and a molecular weight of 367.52 g/mol. Its IUPAC name is (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate.

Molecular Properties

Compound Name(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate
PubChem CID134906807
Molecular FormulaC21H25NO3Si
Molecular Weight367.52 g/mol
Exact Mass367.16
IUPAC Name(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate
SMILESCOc1c(-c2ccccc2)c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c12
InChIInChI=1S/C21H25NO3Si/c1-14(23)25-19-16-12-13-22(2)18(16)20(24-3)17(21(19)26(4,5)6)15-10-8-7-9-11-15/h7-13H,1-6H3
InChIKeyQOAMVVZWGFGOLP-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate
CID 134906943
(4-acetyloxy-2,3-dimethoxy-6-phenylnaphthalen-1-yl) acetate
CID 23038229
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate
CID 11197625
(2-tert-butyl-4,5-diphenylfuran-3-yl) acetate
CID 11336580
(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
CID 110272835
[2-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)phenyl] acetate
CID 156771348
(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
CID 5245721
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate?
The IUPAC name of (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate (CID 134906807) is (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate.
What is the SMILES notation for (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate?
The canonical SMILES for (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate is COc1c(-c2ccccc2)c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c12.
What is the InChIKey of (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate?
The InChIKey is QOAMVVZWGFGOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3Si/c1-14(23)25-19-16-12-13-22(2)18(16)20(24-3)17(21(19)26(4,5)6)15-10-8-7-9-11-15/h7-13H,1-6H3.
What are the key properties of (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate?
(7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate has a molecular weight of 367.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methyl-6-phenyl-5-trimethylsilylindol-4-yl) acetate is sourced from PubChem (CID 134906807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).