ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol

C26H28F3NO3 — CID 143113738

IUPACethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
SMILESCC.CO.OCc1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3NO2.C2H6.CH4O/c24-23(25,26)18-6-8-19(9-7-18)27-20(14-28)12-17-13-21(10-11-22(17)27)29-15-16-4-2-1-3-5-16;2*1-2/h1-13,28H,14-15H2;1-2H3;2H,1H3
InChIKeyJBMATVHCBIWGRF-UHFFFAOYSA-N
MW459.51 g/mol
LogP6.36
Rot. Bonds5

About ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol

ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol (PubChem CID 143113738) has the molecular formula C26H28F3NO3 and a molecular weight of 459.51 g/mol. Its IUPAC name is ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol.

Molecular Properties

Compound Nameethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
PubChem CID143113738
Molecular FormulaC26H28F3NO3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Nameethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
SMILESCC.CO.OCc1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3NO2.C2H6.CH4O/c24-23(25,26)18-6-8-19(9-7-18)27-20(14-28)12-17-13-21(10-11-22(17)27)29-15-16-4-2-1-3-5-16;2*1-2/h1-13,28H,14-15H2;1-2H3;2H,1H3
InChIKeyJBMATVHCBIWGRF-UHFFFAOYSA-N
XLogP6.36
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol 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

[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
CID 71568171
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
CID 69299373
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
[2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 165437540
ethyl 2-[1-[4-(dimethylamino)phenyl]-5-[4-(trifluoromethyl)phenoxy]indol-2-yl]acetate
CID 141151399
5-phenylmethoxy-1-[4-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 175251382
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
CID 67250148

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The IUPAC name of ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol (CID 143113738) is ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol.
What is the SMILES notation for ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The canonical SMILES for ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol is CC.CO.OCc1cc2cc(OCc3ccccc3)ccc2n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
The InChIKey is JBMATVHCBIWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2.C2H6.CH4O/c24-23(25,26)18-6-8-19(9-7-18)27-20(14-28)12-17-13-21(10-11-22(17)27)29-15-16-4-2-1-3-5-16;2*1-2/h1-13,28H,14-15H2;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol?
ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol has a molecular weight of 459.51 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol is sourced from PubChem (CID 143113738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).