1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole

C26H24F3NO — CID 118902258

IUPAC1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole
SMILESCOCn1c(-c2ccccc2)c(C(CC(F)(F)F)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C26H24F3NO/c1-18-13-14-21-23(15-18)30(17-31-2)25(20-11-7-4-8-12-20)24(21)22(16-26(27,28)29)19-9-5-3-6-10-19/h3-15,22H,16-17H2,1-2H3
InChIKeyWFQPJPBNDQVSNJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP7.30
Rot. Bonds6

About 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole

1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole (PubChem CID 118902258) has the molecular formula C26H24F3NO and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole.

Molecular Properties

Compound Name1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole
PubChem CID118902258
Molecular FormulaC26H24F3NO
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole
SMILESCOCn1c(-c2ccccc2)c(C(CC(F)(F)F)c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C26H24F3NO/c1-18-13-14-21-23(15-18)30(17-31-2)25(20-11-7-4-8-12-20)24(21)22(16-26(27,28)29)19-9-5-3-6-10-19/h3-15,22H,16-17H2,1-2H3
InChIKeyWFQPJPBNDQVSNJ-UHFFFAOYSA-N
XLogP7.30
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole 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 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole?
The IUPAC name of 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole (CID 118902258) is 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole.
What is the SMILES notation for 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole?
The canonical SMILES for 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole is COCn1c(-c2ccccc2)c(C(CC(F)(F)F)c2ccccc2)c2ccc(C)cc21.
What is the InChIKey of 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole?
The InChIKey is WFQPJPBNDQVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO/c1-18-13-14-21-23(15-18)30(17-31-2)25(20-11-7-4-8-12-20)24(21)22(16-26(27,28)29)19-9-5-3-6-10-19/h3-15,22H,16-17H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole?
1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole has a molecular weight of 423.48 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)indole is sourced from PubChem (CID 118902258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).