2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene

C18H15F3O — CID 173192525

IUPAC2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
SMILESCC1=Cc2c(cccc2-c2ccc(OC(F)(F)F)cc2C)C1
InChIInChI=1S/C18H15F3O/c1-11-8-13-4-3-5-16(17(13)9-11)15-7-6-14(10-12(15)2)22-18(19,20)21/h3-7,9-10H,8H2,1-2H3
InChIKeyUYMVWVQPQNZSSC-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.52
Rot. Bonds2

About 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene

2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene (PubChem CID 173192525) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
PubChem CID173192525
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
SMILESCC1=Cc2c(cccc2-c2ccc(OC(F)(F)F)cc2C)C1
InChIInChI=1S/C18H15F3O/c1-11-8-13-4-3-5-16(17(13)9-11)15-7-6-14(10-12(15)2)22-18(19,20)21/h3-7,9-10H,8H2,1-2H3
InChIKeyUYMVWVQPQNZSSC-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-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-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene?
The IUPAC name of 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene (CID 173192525) is 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene?
The canonical SMILES for 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene is CC1=Cc2c(cccc2-c2ccc(OC(F)(F)F)cc2C)C1.
What is the InChIKey of 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene?
The InChIKey is UYMVWVQPQNZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c1-11-8-13-4-3-5-16(17(13)9-11)15-7-6-14(10-12(15)2)22-18(19,20)21/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene?
2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene has a molecular weight of 304.31 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene is sourced from PubChem (CID 173192525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).