2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene

C25H21F3O — CID 11292337

IUPAC2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene
SMILESCOCCC1=C(c2ccccc2)c2ccccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3O/c1-29-16-15-22-23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(22)18-11-13-19(14-12-18)25(26,27)28/h2-14,24H,15-16H2,1H3
InChIKeyHFTJFFVRZROVAU-UHFFFAOYSA-N
MW394.44 g/mol
LogP6.69
Rot. Bonds5

About 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene

2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene (PubChem CID 11292337) has the molecular formula C25H21F3O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene
PubChem CID11292337
Molecular FormulaC25H21F3O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene
SMILESCOCCC1=C(c2ccccc2)c2ccccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3O/c1-29-16-15-22-23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(22)18-11-13-19(14-12-18)25(26,27)28/h2-14,24H,15-16H2,1H3
InChIKeyHFTJFFVRZROVAU-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]propanoate
CID 70684393
(5S)-2,2-dimethyl-5-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]oxolane
CID 134942851
1-(2-(1,1-Difluoro-2phenylethoxy)ethyl)naphthalene
CID 156025525
(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane
CID 162402006
4-[3,3-Difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane
CID 162406127
1-(3-Methoxypropyl)-3-(trifluoromethyl)naphthalene
CID 171990161
4-[3,3-Difluoro-2-(4-methylphenyl)propyl]oxane
CID 176437805
3-[3,3-Difluoro-2-(4-phenylphenyl)propyl]oxolane
CID 176437810
2-(Anthracen-9-yl)ethyl methyl ether
CID 281258
1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene
CID 23236602
1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1R)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene
CID 23236603
1,2-Difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene
CID 10926907

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene?
The IUPAC name of 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene (CID 11292337) is 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene.
What is the SMILES notation for 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene?
The canonical SMILES for 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene is COCCC1=C(c2ccccc2)c2ccccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene?
The InChIKey is HFTJFFVRZROVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3O/c1-29-16-15-22-23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(22)18-11-13-19(14-12-18)25(26,27)28/h2-14,24H,15-16H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene?
2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene has a molecular weight of 394.44 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene is sourced from PubChem (CID 11292337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).