2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde

C18H17NO2 — CID 817599

IUPAC2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H17NO2/c1-14-17(13-20)16-9-5-6-10-18(16)19(14)11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyLXNOIWGACXKKNF-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.84
Rot. Bonds5

About 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde

2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde (PubChem CID 817599) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde
PubChem CID817599
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H17NO2/c1-14-17(13-20)16-9-5-6-10-18(16)19(14)11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3
InChIKeyLXNOIWGACXKKNF-UHFFFAOYSA-N
XLogP3.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.84
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
AM-630
CID 4302963
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
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
Win 54,461
CID 9868699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde?
The IUPAC name of 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde (CID 817599) is 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde?
The canonical SMILES for 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde?
The InChIKey is LXNOIWGACXKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14-17(13-20)16-9-5-6-10-18(16)19(14)11-12-21-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde?
2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethyl)indole-3-carbaldehyde is sourced from PubChem (CID 817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).