[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

C19H19NO5 — CID 18075553

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1O
InChIInChI=1S/C19H19NO5/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)11-25-19(23)14-7-5-9-16(24-2)18(14)22/h3-9,12,22H,10-11H2,1-2H3
InChIKeySVXSVYQYXJKNKL-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.54
Rot. Bonds4

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075553) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075553
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1O
InChIInChI=1S/C19H19NO5/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)11-25-19(23)14-7-5-9-16(24-2)18(14)22/h3-9,12,22H,10-11H2,1-2H3
InChIKeySVXSVYQYXJKNKL-UHFFFAOYSA-N
XLogP2.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18127121
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7291483
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-bromobenzoate
CID 2429819
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2399115
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-benzylbenzoate
CID 7809555
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2110241
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366038
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365676

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (CID 18075553) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1O.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is SVXSVYQYXJKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)11-25-19(23)14-7-5-9-16(24-2)18(14)22/h3-9,12,22H,10-11H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 341.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).