ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate

C22H25NO3 — CID 70813717

IUPACethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H25NO3/c1-5-25-21(24)20(26-22(2,3)4)19-15-16-11-9-10-14-18(16)23(19)17-12-7-6-8-13-17/h6-15,20H,5H2,1-4H3
InChIKeyBTMPQAOZWBZSAV-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.05
Rot. Bonds5

About ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate

ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate (PubChem CID 70813717) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
PubChem CID70813717
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H25NO3/c1-5-25-21(24)20(26-22(2,3)4)19-15-16-11-9-10-14-18(16)23(19)17-12-7-6-8-13-17/h6-15,20H,5H2,1-4H3
InChIKeyBTMPQAOZWBZSAV-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium;ethyl 2-hydroxy-2-(1-phenylindol-2-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate;1H-indene;2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate;1-phenylindole
CID 158134428
ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 141324526
ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
CID 81297133
ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123322741
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
tert-butyl 2-(1-aminopropyl)indole-1-carboxylate
CID 102547967
methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70912009
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate (CID 70813717) is ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate is CCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate?
The InChIKey is BTMPQAOZWBZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-5-25-21(24)20(26-22(2,3)4)19-15-16-11-9-10-14-18(16)23(19)17-12-7-6-8-13-17/h6-15,20H,5H2,1-4H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate?
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate has a molecular weight of 351.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate is sourced from PubChem (CID 70813717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).