2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde

C16H11F2NO2 — CID 2774190

IUPAC2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde
SMILESCn1c(Oc2ccc(F)cc2F)c(C=O)c2ccccc21
InChIInChI=1S/C16H11F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-9H,1H3
InChIKeyRGESBTLCWJTUDK-UHFFFAOYSA-N
MW287.27 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde

2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde (PubChem CID 2774190) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde
PubChem CID2774190
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde
SMILESCn1c(Oc2ccc(F)cc2F)c(C=O)c2ccccc21
InChIInChI=1S/C16H11F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-9H,1H3
InChIKeyRGESBTLCWJTUDK-UHFFFAOYSA-N
XLogP4.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
1-[2-(2-methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 675068
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
CID 44158435
Jwh-253
CID 44397405
2-(2-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397559
2-(4-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397671
(1-butylpiperidin-4-yl)methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate
CID 9864179

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde (CID 2774190) is 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde is Cn1c(Oc2ccc(F)cc2F)c(C=O)c2ccccc21.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde?
The InChIKey is RGESBTLCWJTUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-9H,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde?
2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde has a molecular weight of 287.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 2774190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).