1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene

C17H13F3O — CID 132961670

IUPAC1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
SMILESCOc1ccc(C2C=C(C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C17H13F3O/c1-21-12-8-6-11(7-9-12)15-10-16(17(18,19)20)14-5-3-2-4-13(14)15/h2-10,15H,1H3
InChIKeyVJQGZUKRSJLGQF-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene

1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene (PubChem CID 132961670) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
PubChem CID132961670
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
SMILESCOc1ccc(C2C=C(C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C17H13F3O/c1-21-12-8-6-11(7-9-12)15-10-16(17(18,19)20)14-5-3-2-4-13(14)15/h2-10,15H,1H3
InChIKeyVJQGZUKRSJLGQF-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 101476128
(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
CID 139086519
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
CID 135002275
1-fluoro-9-(4-methoxyphenyl)-9H-fluorene
CID 135061174
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
16-(4-methoxyphenyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 102027530
1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
CID 135004359
[2-(4-methoxyphenyl)phenyl] trifluoromethanesulfonate;sulfane
CID 130176801
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene?
The IUPAC name of 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene (CID 132961670) is 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene is COc1ccc(C2C=C(C(F)(F)F)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene?
The InChIKey is VJQGZUKRSJLGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-21-12-8-6-11(7-9-12)15-10-16(17(18,19)20)14-5-3-2-4-13(14)15/h2-10,15H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene?
1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene has a molecular weight of 290.28 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 132961670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).