2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde

C19H16F3NO2 — CID 150305431

IUPAC2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-13-17(12-24)16-7-2-3-8-18(16)23(13)9-10-25-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12H,9-10H2,1H3
InChIKeyGKMJMOXKSVKVAI-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.86
Rot. Bonds5

About 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde

2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde (PubChem CID 150305431) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
PubChem CID150305431
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-13-17(12-24)16-7-2-3-8-18(16)23(13)9-10-25-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12H,9-10H2,1H3
InChIKeyGKMJMOXKSVKVAI-UHFFFAOYSA-N
XLogP4.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde?
The IUPAC name of 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde (CID 150305431) is 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde?
The canonical SMILES for 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1CCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde?
The InChIKey is GKMJMOXKSVKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-13-17(12-24)16-7-2-3-8-18(16)23(13)9-10-25-15-6-4-5-14(11-15)19(20,21)22/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde?
2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde has a molecular weight of 347.34 g/mol, XLogP of 4.86, 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-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde is sourced from PubChem (CID 150305431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).