1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene

C18H15F3O2 — CID 134981943

IUPAC1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene
SMILESCOC1=C(c2ccccc2)c2ccc(C(F)(F)F)cc2C1OC
InChIInChI=1S/C18H15F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyOZVAQEDMYJQIGM-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.81
Rot. Bonds3

About 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene

1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene (PubChem CID 134981943) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene
PubChem CID134981943
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene
SMILESCOC1=C(c2ccccc2)c2ccc(C(F)(F)F)cc2C1OC
InChIInChI=1S/C18H15F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyOZVAQEDMYJQIGM-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene 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-butyl-3-fluoro-1-phenyl-1H-isochromene
CID 101716713
2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
CID 139822692
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
1-(4-(Trifluoromethyl)phenyl)isochroman
CID 10945762
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
2-(Trifluoromethoxymethyl)naphthalene
CID 23627160
2-(Phenyl(4-(trifluoromethyl)phenyl)methoxy)ethan-1-ol
CID 53750914
1-(Methoxy(phenyl)methyl)-4-(trifluoromethyl)benzene
CID 90813207
1-Fluoro-4-(methoxy(4-(trifluoromethyl)phenyl)methyl)benzene
CID 91213757
1-Phenyl-4-[1-(trifluoromethoxy)ethyl]benzene
CID 139813311
1-Phenyl-4-(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 168157487

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene?
The IUPAC name of 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene (CID 134981943) is 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene?
The canonical SMILES for 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene is COC1=C(c2ccccc2)c2ccc(C(F)(F)F)cc2C1OC.
What is the InChIKey of 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene?
The InChIKey is OZVAQEDMYJQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3.
What are the key properties of 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene?
1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene has a molecular weight of 320.31 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-phenyl-6-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 134981943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).