5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde

C19H19NO4 — CID 8634050

IUPAC5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
SMILESCOc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C=O)c1
InChIInChI=1S/C19H19NO4/c1-13-9-14-5-3-4-6-17(14)20(13)19(22)12-24-18-8-7-16(23-2)10-15(18)11-21/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1
InChIKeyLVIZTLHJFXOTHY-CYBMUJFWSA-N
MW325.36 g/mol
LogP2.86
Rot. Bonds5

About 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde

5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde (PubChem CID 8634050) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
PubChem CID8634050
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
SMILESCOc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C=O)c1
InChIInChI=1S/C19H19NO4/c1-13-9-14-5-3-4-6-17(14)20(13)19(22)12-24-18-8-7-16(23-2)10-15(18)11-21/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1
InChIKeyLVIZTLHJFXOTHY-CYBMUJFWSA-N
XLogP2.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The IUPAC name of 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde (CID 8634050) is 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde is COc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The InChIKey is LVIZTLHJFXOTHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-9-14-5-3-4-6-17(14)20(13)19(22)12-24-18-8-7-16(23-2)10-15(18)11-21/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde has a molecular weight of 325.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde is sourced from PubChem (CID 8634050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).