4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene

C18H17F3O — CID 149031358

IUPAC4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene
SMILESCc1cc(COc2cccc3c2CCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3O/c1-12-8-13(10-15(9-12)18(19,20)21)11-22-17-7-3-5-14-4-2-6-16(14)17/h3,5,7-10H,2,4,6,11H2,1H3
InChIKeyQFMREMQBIMAPEC-UHFFFAOYSA-N
MW306.33 g/mol
LogP5.08
Rot. Bonds3

About 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene

4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene (PubChem CID 149031358) has the molecular formula C18H17F3O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene
PubChem CID149031358
Molecular FormulaC18H17F3O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene
SMILESCc1cc(COc2cccc3c2CCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3O/c1-12-8-13(10-15(9-12)18(19,20)21)11-22-17-7-3-5-14-4-2-6-16(14)17/h3,5,7-10H,2,4,6,11H2,1H3
InChIKeyQFMREMQBIMAPEC-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-methyl-1,3-dihydroisoindole;ethane
CID 156742549
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 141113015
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 141113012
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene
CID 165143471
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
tert-butyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate;S-[3-prop-1-en-2-yl-5-(trifluoromethyl)phenyl]thiohydroxylamine
CID 143940238
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene (CID 149031358) is 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene is Cc1cc(COc2cccc3c2CCC3)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene?
The InChIKey is QFMREMQBIMAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O/c1-12-8-13(10-15(9-12)18(19,20)21)11-22-17-7-3-5-14-4-2-6-16(14)17/h3,5,7-10H,2,4,6,11H2,1H3.
What are the key properties of 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene?
4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene has a molecular weight of 306.33 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 149031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).