[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate

C23H17NO4 — CID 3384233

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H17NO4/c25-21(19-14-24-20-12-6-4-10-17(19)20)15-27-23(26)18-11-5-7-13-22(18)28-16-8-2-1-3-9-16/h1-14,24H,15H2
InChIKeyIHXGUAIBTXZIEW-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.00
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 3384233) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID3384233
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H17NO4/c25-21(19-14-24-20-12-6-4-10-17(19)20)15-27-23(26)18-11-5-7-13-22(18)28-16-8-2-1-3-9-16/h1-14,24H,15H2
InChIKeyIHXGUAIBTXZIEW-UHFFFAOYSA-N
XLogP5.00
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 3255141
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2689640
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2453041

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate (CID 3384233) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is IHXGUAIBTXZIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-21(19-14-24-20-12-6-4-10-17(19)20)15-27-23(26)18-11-5-7-13-22(18)28-16-8-2-1-3-9-16/h1-14,24H,15H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 3384233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).