2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole

C25H24FNO — CID 168755173

IUPAC2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
SMILESCC(C)(C)c1cc2c(OCc3ccccc3)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H24FNO/c1-25(2,3)24-16-21-22(27(24)20-14-12-19(26)13-15-20)10-7-11-23(21)28-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3
InChIKeyIYTJXCZQSODXGH-UHFFFAOYSA-N
MW373.47 g/mol
LogP6.65
Rot. Bonds4

About 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole

2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole (PubChem CID 168755173) has the molecular formula C25H24FNO and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
PubChem CID168755173
Molecular FormulaC25H24FNO
Molecular Weight373.47 g/mol
Exact Mass373.18
IUPAC Name2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
SMILESCC(C)(C)c1cc2c(OCc3ccccc3)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H24FNO/c1-25(2,3)24-16-21-22(27(24)20-14-12-19(26)13-15-20)10-7-11-23(21)28-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3
InChIKeyIYTJXCZQSODXGH-UHFFFAOYSA-N
XLogP6.65
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-butoxy-1-(4-fluorophenyl)indol-2-yl]-2-methylpropan-1-ol
CID 168754285
3-[1-(4-fluorophenyl)-3-methyl-4-phenylmethoxyindol-2-yl]-2,2-dimethylpropanenitrile
CID 156879116
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
2-[3-[1-(4-fluorophenyl)-4-phenylmethoxyindol-2-yl]cyclobutyl]-4-nitrobenzoic acid
CID 175398584
6-fluoro-1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-3-methyl-4-phenylmethoxyindole
CID 156879217
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
4-[[1-(4-fluorophenyl)-2-(4-hydroxy-2-methylbutan-2-yl)-4-phenylmethoxyindol-3-yl]methyl]benzoic acid
CID 175398700
4-[1-(4-fluorophenyl)-4-phenylmethoxy-2-(trifluoromethyl)indol-3-yl]heptanal
CID 156878439
2-fluoro-4-[1-(4-fluorophenyl)-4-phenylmethoxy-2-(trifluoromethyl)indol-3-yl]benzoic acid
CID 156878987
1-methyl-4-phenylmethoxyindazole
CID 143030970
1-ethyl-4-phenylmethoxyindole
CID 24776902

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole?
The IUPAC name of 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole (CID 168755173) is 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole.
What is the SMILES notation for 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole?
The canonical SMILES for 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole is CC(C)(C)c1cc2c(OCc3ccccc3)cccc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole?
The InChIKey is IYTJXCZQSODXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO/c1-25(2,3)24-16-21-22(27(24)20-14-12-19(26)13-15-20)10-7-11-23(21)28-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole?
2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole has a molecular weight of 373.47 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole is sourced from PubChem (CID 168755173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).