2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde

C18H16BrNO4 — CID 7568920

IUPAC2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16BrNO4/c1-23-16-9-14(19)13(10-21)8-17(16)24-11-18(22)20-7-6-12-4-2-3-5-15(12)20/h2-5,8-10H,6-7,11H2,1H3
InChIKeyAVLQHUMLCROAGC-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.24
Rot. Bonds5

About 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde

2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde (PubChem CID 7568920) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
PubChem CID7568920
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16BrNO4/c1-23-16-9-14(19)13(10-21)8-17(16)24-11-18(22)20-7-6-12-4-2-3-5-15(12)20/h2-5,8-10H,6-7,11H2,1H3
InChIKeyAVLQHUMLCROAGC-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.24
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

2-bromo-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7568942
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
CID 7820189
4-[2-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 2240654
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
2-[(4-bromo-5-formyl-2-methoxyphenoxy)methyl]prop-2-enoic acid
CID 166429800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde (CID 7568920) is 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde is COc1cc(Br)c(C=O)cc1OCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde?
The InChIKey is AVLQHUMLCROAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-23-16-9-14(19)13(10-21)8-17(16)24-11-18(22)20-7-6-12-4-2-3-5-15(12)20/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde?
2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde has a molecular weight of 390.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 7568920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).