1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol

C26H24F3NO2 — CID 118908994

IUPAC1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol
SMILESCOCn1c(-c2ccccc2)c(C(c2ccccc2)C(O)C(F)(F)F)c2ccc(C)cc21
InChIInChI=1S/C26H24F3NO2/c1-17-13-14-20-21(15-17)30(16-32-2)24(19-11-7-4-8-12-19)23(20)22(25(31)26(27,28)29)18-9-5-3-6-10-18/h3-15,22,25,31H,16H2,1-2H3
InChIKeyQYOLCVAACVUXAS-UHFFFAOYSA-N
MW439.48 g/mol
LogP6.28
Rot. Bonds6

About 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol

1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol (PubChem CID 118908994) has the molecular formula C26H24F3NO2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol
PubChem CID118908994
Molecular FormulaC26H24F3NO2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol
SMILESCOCn1c(-c2ccccc2)c(C(c2ccccc2)C(O)C(F)(F)F)c2ccc(C)cc21
InChIInChI=1S/C26H24F3NO2/c1-17-13-14-20-21(15-17)30(16-32-2)24(19-11-7-4-8-12-19)23(20)22(25(31)26(27,28)29)18-9-5-3-6-10-18/h3-15,22,25,31H,16H2,1-2H3
InChIKeyQYOLCVAACVUXAS-UHFFFAOYSA-N
XLogP6.28
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol 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 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol (CID 118908994) is 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol is COCn1c(-c2ccccc2)c(C(c2ccccc2)C(O)C(F)(F)F)c2ccc(C)cc21.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol?
The InChIKey is QYOLCVAACVUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO2/c1-17-13-14-20-21(15-17)30(16-32-2)24(19-11-7-4-8-12-19)23(20)22(25(31)26(27,28)29)18-9-5-3-6-10-18/h3-15,22,25,31H,16H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol?
1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol has a molecular weight of 439.48 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(methoxymethyl)-6-methyl-2-phenylindol-3-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 118908994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).