6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole

C27H27F2NO2 — CID 156879217

IUPAC6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole
SMILESCOCC(C)(C)c1c(C)c2c(OCc3ccccc3)cc(F)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H27F2NO2/c1-18-25-23(14-21(29)15-24(25)32-16-19-8-6-5-7-9-19)30(22-12-10-20(28)11-13-22)26(18)27(2,3)17-31-4/h5-15H,16-17H2,1-4H3
InChIKeyVEOODSBBVKTWRM-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.72
Rot. Bonds7

About 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole

6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole (PubChem CID 156879217) has the molecular formula C27H27F2NO2 and a molecular weight of 435.51 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole.

Molecular Properties

Compound Name6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole
PubChem CID156879217
Molecular FormulaC27H27F2NO2
Molecular Weight435.51 g/mol
Exact Mass435.20
IUPAC Name6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole
SMILESCOCC(C)(C)c1c(C)c2c(OCc3ccccc3)cc(F)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H27F2NO2/c1-18-25-23(14-21(29)15-24(25)32-16-19-8-6-5-7-9-19)30(22-12-10-20(28)11-13-22)26(18)27(2,3)17-31-4/h5-15H,16-17H2,1-4H3
InChIKeyVEOODSBBVKTWRM-UHFFFAOYSA-N
XLogP6.72
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(1,1-difluoro-2-methoxyethyl)-1-(4-fluorophenyl)-4-phenylmethoxyindol-3-yl]benzoic acid
CID 156878621
3-[1-(4-fluorophenyl)-3-methyl-4-phenylmethoxyindol-2-yl]-2,2-dimethylpropanenitrile
CID 156879116
2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
CID 168755173
4-[[1-(4-fluorophenyl)-2-(4-methoxy-2-methylbutan-2-yl)-4-phenylmethoxyindol-3-yl]methyl]benzoic acid
CID 175398566
4-[[1-(4-fluorophenyl)-2-(4-hydroxy-2-methylbutan-2-yl)-4-phenylmethoxyindol-3-yl]methyl]benzoic acid
CID 175398700
methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
CID 58303910
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
CID 69299373
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
benzyl 4-[1-benzyl-6-fluoro-4-(4-fluoroanilino)-2-(1-methoxy-2-methylpropan-2-yl)indol-3-yl]benzoate
CID 156878798
2-fluoro-4-[1-(4-fluorophenyl)-4-phenylmethoxy-2-(trifluoromethyl)indol-3-yl]benzoic acid
CID 156878987
4-[2-(2-ethoxy-1,1-difluoro-2-oxoethyl)-1-(4-fluorophenyl)-4-phenylmethoxyindol-3-yl]benzoic acid
CID 156878382
4-[4-amino-6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(1-methoxy-2-methylpropan-2-yl)indol-3-yl]benzoic acid
CID 156878338

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole?
The IUPAC name of 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole (CID 156879217) is 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole.
What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole?
The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole is COCC(C)(C)c1c(C)c2c(OCc3ccccc3)cc(F)cc2n1-c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole?
The InChIKey is VEOODSBBVKTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO2/c1-18-25-23(14-21(29)15-24(25)32-16-19-8-6-5-7-9-19)30(22-12-10-20(28)11-13-22)26(18)27(2,3)17-31-4/h5-15H,16-17H2,1-4H3.
What are the key properties of 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole?
6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole has a molecular weight of 435.51 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole is sourced from PubChem (CID 156879217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).