[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate

C18H15NO4 — CID 27535148

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1cccc(C(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15NO4/c1-22-13-6-4-5-12(9-13)17(20)11-23-18(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3
InChIKeyLWRPMGVQIBSRQJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.22
Rot. Bonds5

About [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 27535148) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID27535148
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1cccc(C(=O)COC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15NO4/c1-22-13-6-4-5-12(9-13)17(20)11-23-18(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3
InChIKeyLWRPMGVQIBSRQJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
CID 7518736
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2586374
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
CID 5253310
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
CID 3384233
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate (CID 27535148) is [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate is COc1cccc(C(=O)COC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is LWRPMGVQIBSRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-13-6-4-5-12(9-13)17(20)11-23-18(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 27535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).