ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate

C18H17NO3 — CID 122364960

IUPACethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)CC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C18H17NO3/c1-2-22-16(20)12-18(13-8-4-3-5-9-13)17(21)14-10-6-7-11-15(14)19-18/h3-11,19H,2,12H2,1H3
InChIKeySOTTUJLRIYMGQF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds4

About ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate

ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate (PubChem CID 122364960) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
PubChem CID122364960
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)CC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C18H17NO3/c1-2-22-16(20)12-18(13-8-4-3-5-9-13)17(21)14-10-6-7-11-15(14)19-18/h3-11,19H,2,12H2,1H3
InChIKeySOTTUJLRIYMGQF-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 5177010
ethyl 2-(2-chloroprop-2-enyl)-3-oxo-1H-indole-2-carboxylate
CID 142664177
ethyl 2-[2-[(4-methylphenyl)methyl]-1,3-dioxoinden-2-yl]acetate
CID 790489
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
diethyl 2-[2-[4-(dimethylamino)phenyl]-3-oxo-1H-indol-2-yl]propanedioate
CID 13334274
ethyl (2S)-4-hydroxy-2-methyl-1H-quinoline-2-carboxylate
CID 98116031
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate
CID 4242299
ethyl 2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]acetate
CID 51595581
4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
CID 66747501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate (CID 122364960) is ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate is CCOC(=O)CC1(c2ccccc2)Nc2ccccc2C1=O.
What is the InChIKey of ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate?
The InChIKey is SOTTUJLRIYMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-16(20)12-18(13-8-4-3-5-9-13)17(21)14-10-6-7-11-15(14)19-18/h3-11,19H,2,12H2,1H3.
What are the key properties of ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate?
ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate has a molecular weight of 295.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate is sourced from PubChem (CID 122364960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).