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

C83H81KN4O9 — CID 158134428

IUPACpotassium;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
SMILESC1=Cc2ccccc2C1.CC(C)(C)OC(C(=O)[O-])c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(O)c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1.[K+].c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C22H25NO3.C20H21NO3.C18H17NO3.C14H11N.C9H8.K/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;1-20(2,3)24-18(19(22)23)17-13-14-9-7-8-12-16(14)21(17)15-10-5-4-6-11-15;1-2-22-18(21)17(20)16-12-13-8-6-7-11-15(13)19(16)14-9-4-3-5-10-14;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-2-5-9-7-3-6-8(9)4-1;/h6-15,20H,5H2,1-4H3;4-13,18H,1-3H3,(H,22,23);3-12,17,20H,2H2,1H3;1-11H;1-6H,7H2;/q;;;;;+1/p-1
InChIKeyFTEFDRCCRJURSO-UHFFFAOYSA-M
MW1317.68 g/mol
LogP14.40
Rot. Bonds14

About 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

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 (PubChem CID 158134428) has the molecular formula C83H81KN4O9 and a molecular weight of 1317.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepotassium;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
PubChem CID158134428
Molecular FormulaC83H81KN4O9
Molecular Weight1317.68 g/mol
Exact Mass1316.56
IUPAC Namepotassium;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
SMILESC1=Cc2ccccc2C1.CC(C)(C)OC(C(=O)[O-])c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(O)c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1.[K+].c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C22H25NO3.C20H21NO3.C18H17NO3.C14H11N.C9H8.K/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;1-20(2,3)24-18(19(22)23)17-13-14-9-7-8-12-16(14)21(17)15-10-5-4-6-11-15;1-2-22-18(21)17(20)16-12-13-8-6-7-11-15(13)19(16)14-9-4-3-5-10-14;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-2-5-9-7-3-6-8(9)4-1;/h6-15,20H,5H2,1-4H3;4-13,18H,1-3H3,(H,22,23);3-12,17,20H,2H2,1H3;1-11H;1-6H,7H2;/q;;;;;+1/p-1
InChIKeyFTEFDRCCRJURSO-UHFFFAOYSA-M
XLogP14.40
TPSA151.14 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.68
LogP ≤ 514.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2ccccc2C1.CC(C)(C)OC(C(=O)[O-])c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(O)c1cc2ccccc2n1-c1ccccc1.CCOC(=O)C(OC(C)(C)C)c1cc2ccccc2n1-c1ccccc1.[K+].c1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is FTEFDRCCRJURSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25NO3.C20H21NO3.C18H17NO3.C14H11N.C9H8.K/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;1-20(2,3)24-18(19(22)23)17-13-14-9-7-8-12-16(14)21(17)15-10-5-4-6-11-15;1-2-22-18(21)17(20)16-12-13-8-6-7-11-15(13)19(16)14-9-4-3-5-10-14;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;1-2-5-9-7-3-6-8(9)4-1;/h6-15,20H,5H2,1-4H3;4-13,18H,1-3H3,(H,22,23);3-12,17,20H,2H2,1H3;1-11H;1-6H,7H2;/q;;;;;+1/p-1.
What are the key properties of 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?
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 has a molecular weight of 1317.68 g/mol, XLogP of 14.40, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158134428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).