3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde

C19H19NO4 — CID 7894130

IUPAC3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H19NO4/c1-13-9-15-5-3-4-6-16(15)20(13)19(22)12-24-17-8-7-14(11-21)10-18(17)23-2/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m0/s1
InChIKeyOJVUOUPDHXKDOF-ZDUSSCGKSA-N
MW325.36 g/mol
LogP2.86
Rot. Bonds5

About 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde

3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde (PubChem CID 7894130) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
PubChem CID7894130
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C19H19NO4/c1-13-9-15-5-3-4-6-16(15)20(13)19(22)12-24-17-8-7-14(11-21)10-18(17)23-2/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m0/s1
InChIKeyOJVUOUPDHXKDOF-ZDUSSCGKSA-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

5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 8634050
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 42967686
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6213371
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416270
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907822
[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-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde (CID 7894130) is 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde is COc1cc(C=O)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
The InChIKey is OJVUOUPDHXKDOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-9-15-5-3-4-6-16(15)20(13)19(22)12-24-17-8-7-14(11-21)10-18(17)23-2/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde?
3-methoxy-4-[2-[(2S)-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 3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde is sourced from PubChem (CID 7894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).